Benzenemethanamine, 3-chloro-N-pentyl-
Basic information
- CAS
90389-90-5- Standard SMILES
CCCCCNCc1cccc(Cl)c1- InChIKey
QMXXEPWURVQBKU-UHFFFAOYSA-N- Molecular formula
- C12H18ClN
- Average molar mass
- 211.73 g/mol
- Monoisotopic mass
- 211.1127773
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-N-pentyl-
- IUPAC
- N-[(3-chlorophenyl)methyl]pentan-1-amine
Names & synonyms
90389-90-5Benzenemethanamine, 3-chloro-N-pentyl-N-[(3-chlorophenyl)methyl]pentan-1-amine[(3-CHLOROPHENYL)METHYL](PENTYL)AMINECHEMBL1178138DTXSID60238120AKOS000231659EN300-162753A1-0605390389-50-7
Database identifiers
- CAS
90389-90-5- PubChem CID
- 457586
- DTXSID
DTXSID60238120- ChEMBL
CHEMBL1178138- Nikkaji
- J545.043H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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