Basic information
- CAS
423740-56-1- Standard SMILES
COc1ccc(CNCc2cccc(Cl)c2)cc1- InChIKey
XSIGKBGYHPTLBF-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.0920418
Names & identifiers
- Preferred name
- (3-Chlorobenzyl)(4-methoxybenzyl)amine
- IUPAC
- N-[(3-chlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
Names & synonyms
423740-56-1(3-chlorobenzyl)(4-methoxybenzyl)amineN-(3-Chlorobenzyl)-1-(4-methoxyphenyl)methanamineN-[(3-chlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine1-(3-Chlorophenyl)-N-[(4-methoxyphenyl)methyl]methanamineHMS2583A23SMR000193701CBMicro_038408Oprea1_0061961-(3-chlorophenyl)-N-(4-methoxybenzyl)methanamineMLS000571692[(3-chlorophenyl)methyl][(4-methoxyphenyl)methyl]amine
Show more names
CHEMBL1568447DTXSID20353348STK126733AKOS000233657SB81938BIM-0038486.P001DB-189707EU-0074716
Database identifiers
- CAS
423740-56-1- PubChem CID
- 738540
- DTXSID
DTXSID20353348- ChEMBL
CHEMBL1568447
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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