N-[(4-chlorophenyl)methyl]pentan-1-amine

C12H18ClN — CID 2466110

IUPACN-[(4-chlorophenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKeyRYXSGPZPYZUXCN-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.62
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]pentan-1-amine

N-[(4-chlorophenyl)methyl]pentan-1-amine (PubChem CID 2466110) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]pentan-1-amine
PubChem CID2466110
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-[(4-chlorophenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKeyRYXSGPZPYZUXCN-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]pentan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]pentan-1-amine (CID 2466110) is N-[(4-chlorophenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]pentan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]pentan-1-amine is CCCCCNCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]pentan-1-amine?
The InChIKey is RYXSGPZPYZUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]pentan-1-amine?
N-[(4-chlorophenyl)methyl]pentan-1-amine has a molecular weight of 211.74 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 2466110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).