Basic information
- CAS
13042-18-7- Standard SMILES
CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1- InChIKey
NMKSAYKQLCHXDK-UHFFFAOYSA-N- Molecular formula
- C23H25N
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.1986998
Overview
3,3-diphenyl-N-(1-phenylethyl)-1-propanamine is a diarylmethane.
Names & identifiers
- Preferred name
- Fendiline
- IUPAC
- 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
- English name
- Fendiline
- Molecular formula
- C23H25N
- Molecular weight
- 315.45
Names & synonyms
fendiline13042-18-7FendilinS253D559A8(3,3-diphenylpropyl)(1-phenylethyl)amineDTXSID5048473Benzenepropanamine, gamma-phenyl-N-(1-phenylethyl)-RefChem:140121DTXCID1028447235-915-63,3-diphenyl-N-(1-phenylethyl)propan-1-amineFendilina
Show more names
N-(1-Phenylethyl)-3,3-diphenylpropylamineBenzenepropanamine, γ-phenyl-N-(1-phenylethyl)-
FendilinumFendiline [INN]Phendilin; dl-FendilineVU717CHEMBL254832Fendiline (INN)Benzenepropanamine, .gamma.-phenyl-N-(1-phenylethyl)-N-(3,3-Diphenylpropyl)-.alpha.-methylbenzylamine
Database identifiers
- CAS
13042-18-7- PubChem CID
- 3336
- DTXSID
DTXSID5048473- ChEMBL
CHEMBL254832- ChEBI
CHEBI:94434- UNII
- S253D559A8
- EC Number
- 235-915-6
- Nikkaji
- J8.079I
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
LogP4.89
Melting Point200-201
Dissociation Constants
9.04
9.3
Collision Cross Section174.83 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 0.3 · bp0.3 206-210°
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.28(Predicted)
- Water Solubility
- 2.331 mg/L · 2.331mg/L(22.5 ºC)
- FDA UNII
- 253 D559A8 · S253D559A8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Benzenepropanamine, .gamma.-phenyl-N-(1-phenylethyl)-: Human health tier I assessment
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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