1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine

C15H22ClN — CID 65025938

IUPAC1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccc(C)c(CNC2(CCl)CCCC2)c1
InChIInChI=1S/C15H22ClN/c1-12-5-6-13(2)14(9-12)10-17-15(11-16)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyUYFSNDYHTINJEL-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.94
Rot. Bonds4

About 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine

1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 65025938) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID65025938
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
SMILESCc1ccc(C)c(CNC2(CCl)CCCC2)c1
InChIInChI=1S/C15H22ClN/c1-12-5-6-13(2)14(9-12)10-17-15(11-16)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyUYFSNDYHTINJEL-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-N-[(2,5-dimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine (CID 65025938) is 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine is Cc1ccc(C)c(CNC2(CCl)CCCC2)c1.
What is the InChIKey of 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is UYFSNDYHTINJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12-5-6-13(2)14(9-12)10-17-15(11-16)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine?
1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 65025938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).