Basic information
- Standard SMILES
NCCCCc1cccc(Cl)c1- InChIKey
TUCKGJZYCMYNAP-UHFFFAOYSA-N- Molecular formula
- C10H14ClN
- Average molar mass
- 183.68 g/mol
- Monoisotopic mass
- 183.0814771
Names & identifiers
- Preferred name
- 4-(3-Chlorophenyl)butan-1-amine
- IUPAC
- 4-(3-chlorophenyl)butan-1-amine
Names & synonyms
4-(3-chlorophenyl)butan-1-amine3-Chloro-benzenebutanamine181650-48-6MFCD09886648CHEMBL1317714-(3-chlorophenyl)-butylamineSCHEMBL1800551SCHEMBL89710604-(3-Chloro-phenyl)-butylamineTUCKGJZYCMYNAP-UHFFFAOYSA-NBDBM50053605AKOS013464078
Show more names
NS-01636CS-0286690F79521EN300-1964921F698063
Database identifiers
- PubChem CID
- 10655071
- ChEMBL
CHEMBL131771
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Related reactions
6 records
Compound notes
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