1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine

C14H20ClN — CID 84799014

IUPAC1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10-8-11(2)13(15)9-12(10)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyJGZRKIHPCVTVOP-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.07
Rot. Bonds1

About 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine

1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine (PubChem CID 84799014) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
PubChem CID84799014
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-10-8-11(2)13(15)9-12(10)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyJGZRKIHPCVTVOP-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-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84789566
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117422892
1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
CID 84791900
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(5-ethyl-2-methylphenyl)cyclohexan-1-amine
CID 117310158
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine (CID 84799014) is 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine is Cc1cc(C)c(C2(N)CCCCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is JGZRKIHPCVTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-8-11(2)13(15)9-12(10)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine?
1-(5-chloro-2,4-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-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 84799014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).