Basic information
- CAS
88097-86-3- Standard SMILES
CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1N)C2- InChIKey
KZFDKINRISJFCO-UHFFFAOYSA-N- Molecular formula
- C21H26N2O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.20451346
Overview
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline is a diarylmethane.
Names & identifiers
- Preferred name
- 3-(2'-Aminobenzhydryloxy)tropane
- IUPAC
- 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline
- English name
- 3-(2'-aminobenzhydryloxy)tropane
- Molecular weight
- 0
Names & synonyms
88097-86-3ABHT3-(2'-Aminobenzhydryloxy)tropaneRefChem:112014Aminobenztropine2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]anilineCHEMBL330957Benzenamine,2-[[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)oxy]phenylmethyl]-N-Hydroxy Metaraminol2-{[(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy](phenyl)methyl}aniline2-[({8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL}OXY)(PHENYL)METHYL]ANILINEAminobenztropine, solid
Show more names
Spectrum_000273SpecPlus_000797Spectrum3_000745Spectrum4_001211Spectrum5_001758Lopac0_000126BSPBio_002330KBioGR_001642
Database identifiers
- CAS
88097-86-3- PubChem CID
- 2143
- DTXSID
DTXSID001007934- ChEMBL
CHEMBL3084891、CHEMBL330957- ChEBI
CHEBI:125384
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility>48.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section
176.03 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
180.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Chemistry & industry
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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