1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine

C14H20ClN — CID 117348296

IUPAC1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
SMILESCc1ccc(Cl)c(C2(N)CCCCC2)c1C
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(15)13(11(10)2)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyLGIIESFJHVJXKV-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.07
Rot. Bonds1

About 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine

1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine (PubChem CID 117348296) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
PubChem CID117348296
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
SMILESCc1ccc(Cl)c(C2(N)CCCCC2)c1C
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(15)13(11(10)2)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyLGIIESFJHVJXKV-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
CID 84799014
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine (CID 117348296) is 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine is Cc1ccc(Cl)c(C2(N)CCCCC2)c1C.
What is the InChIKey of 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is LGIIESFJHVJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-6-7-12(15)13(11(10)2)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine?
1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117348296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).