[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine

C13H16ClF2NO — CID 117441409

IUPAC[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(F)c(C2(CN)CCCC2)c(F)c1Cl
InChIInChI=1S/C13H16ClF2NO/c1-18-9-6-8(15)10(12(16)11(9)14)13(7-17)4-2-3-5-13/h6H,2-5,7,17H2,1H3
InChIKeyCXZUEWJFLBQEEA-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.40
Rot. Bonds3

About [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine

[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine (PubChem CID 117441409) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
PubChem CID117441409
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(F)c(C2(CN)CCCC2)c(F)c1Cl
InChIInChI=1S/C13H16ClF2NO/c1-18-9-6-8(15)10(12(16)11(9)14)13(7-17)4-2-3-5-13/h6H,2-5,7,17H2,1H3
InChIKeyCXZUEWJFLBQEEA-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine 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

2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine (CID 117441409) is [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine is COc1cc(F)c(C2(CN)CCCC2)c(F)c1Cl.
What is the InChIKey of [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine?
The InChIKey is CXZUEWJFLBQEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c1-18-9-6-8(15)10(12(16)11(9)14)13(7-17)4-2-3-5-13/h6H,2-5,7,17H2,1H3.
What are the key properties of [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine?
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine has a molecular weight of 275.73 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117441409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).