(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
Basic information
- CAS
91797-61-4- Standard SMILES
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21- InChIKey
NVXPZMLRGBVYQV-YOEHRIQHSA-N- Molecular formula
- C17H19N
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.15174961
Names & identifiers
- Preferred name
- (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
- IUPAC
- (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
- English name
- 1-Naphthalenamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, (1S,4S)-
- Molecular formula
- C17H19N
- Molecular weight
- 237.34
Names & synonyms
cis-TametralineCHEMBL36260(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine52758-03-9CHEMBL1788365Tametraline, 1S-cis-ZQ242YU5QKorb1697705SCHEMBL4619211BDBM50028062BDBM50367175AKOS040751270
Show more names
91797-61-4T31045Methyl-(4-phenyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine(1S,4S)-1,2,3,4-Tetrahydro-N-methyl-4-phenyl-1-naphthalenamineMethyl-(4-phenyl-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine, HCl1,2,3,4-Tetrahydro-N-methyl-4-phenyl-1-naphthalenamine, (1S,4S)-1-Naphthalenamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, (1S,4S)-1-Naphthalenamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, (1S-cis)-
Database identifiers
- CAS
91797-61-4- PubChem CID
- 104182
- ChEMBL
CHEMBL1788365、CHEMBL36260- UNII
- ZQ242YU5QK
- Nikkaji
- J293.686K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 366.5 · 366.5±31.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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