1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine

C14H19Cl2N — CID 106869831

IUPAC1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccc(CNC2(CCl)CCCC2)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-11-4-5-12(13(16)8-11)9-17-14(10-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyAZOLVAFKODAFBN-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.29
Rot. Bonds4

About 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine

1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 106869831) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID106869831
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccc(CNC2(CCl)CCCC2)c(Cl)c1
InChIInChI=1S/C14H19Cl2N/c1-11-4-5-12(13(16)8-11)9-17-14(10-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyAZOLVAFKODAFBN-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-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

Related Compounds

1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938
1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65030140
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-chloro-4-methylphenyl)methanamine
CID 106869882
1-(chloromethyl)-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 65026217
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
CID 65025996
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine (CID 106869831) is 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine is Cc1ccc(CNC2(CCl)CCCC2)c(Cl)c1.
What is the InChIKey of 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is AZOLVAFKODAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-11-4-5-12(13(16)8-11)9-17-14(10-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine?
1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106869831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).