1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine

C13H17ClFN — CID 117356604

IUPAC1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
SMILESCc1ccc(Cl)c(C2(N)CCCCC2)c1F
InChIInChI=1S/C13H17ClFN/c1-9-5-6-10(14)11(12(9)15)13(16)7-3-2-4-8-13/h5-6H,2-4,7-8,16H2,1H3
InChIKeyLAJKHCNUVVYGNL-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.91
Rot. Bonds1

About 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine

1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine (PubChem CID 117356604) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
PubChem CID117356604
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
SMILESCc1ccc(Cl)c(C2(N)CCCCC2)c1F
InChIInChI=1S/C13H17ClFN/c1-9-5-6-10(14)11(12(9)15)13(16)7-3-2-4-8-13/h5-6H,2-4,7-8,16H2,1H3
InChIKeyLAJKHCNUVVYGNL-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117348296
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine (CID 117356604) is 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine is Cc1ccc(Cl)c(C2(N)CCCCC2)c1F.
What is the InChIKey of 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine?
The InChIKey is LAJKHCNUVVYGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-5-6-10(14)11(12(9)15)13(16)7-3-2-4-8-13/h5-6H,2-4,7-8,16H2,1H3.
What are the key properties of 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine?
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117356604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).