1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine

C12H15ClFN — CID 84791900

IUPAC1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
SMILESCc1cc(Cl)cc(C2(N)CCCC2)c1F
InChIInChI=1S/C12H15ClFN/c1-8-6-9(13)7-10(11(8)14)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3
InChIKeyQFOIDMWBUNPTCP-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.52
Rot. Bonds1

About 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine

1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine (PubChem CID 84791900) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
PubChem CID84791900
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
SMILESCc1cc(Cl)cc(C2(N)CCCC2)c1F
InChIInChI=1S/C12H15ClFN/c1-8-6-9(13)7-10(11(8)14)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3
InChIKeyQFOIDMWBUNPTCP-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(5-chloro-2-fluoro-3-methylphenyl)cyclobutane-1-carboxylic acid
CID 84801765
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84789566
1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
CID 84799014
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine (CID 84791900) is 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine is Cc1cc(Cl)cc(C2(N)CCCC2)c1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine?
The InChIKey is QFOIDMWBUNPTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-6-9(13)7-10(11(8)14)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3.
What are the key properties of 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine?
1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84791900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).