n-Butyl-4-chlorobenzenemethanamine

HCID 57375995
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Basic information

Standard SMILES
CCCCc1cc(Cl)ccc1CN
InChIKey
XTJWRVNSSOSBNH-UHFFFAOYSA-N
Molecular formula
C11H16ClN
Average molar mass
197.7 g/mol

Names & identifiers

Preferred name
n-Butyl-4-chlorobenzenemethanamine
IUPAC
(2-butyl-4-chlorophenyl)methanamine

Names & synonyms

n-butyl-4-chlorobenzenemethanamineBenzenemethanamine,N-butyl-4-chloro-, hydrochloride (1:1)(2-butyl-4-chlorophenyl)methanamineSCHEMBL9130851XTJWRVNSSOSBNH-UHFFFAOYSA-N(2-butyl-4-chloro-phenyl)methanamineBS-36797

Database identifiers

PubChem CID
57375995

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
13

Related reactions

3 records
New reaction record

Linked notes

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