[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine

C14H20ClN — CID 83824553

IUPAC[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-11-5-6-12(9-13(11)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyJFMDUXNZYBSSGR-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.81
Rot. Bonds2

About [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine

[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine (PubChem CID 83824553) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
PubChem CID83824553
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C14H20ClN/c1-11-5-6-12(9-13(11)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyJFMDUXNZYBSSGR-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(4-methyl-3-phenylphenyl)cyclopentyl]methanamine
CID 117418137
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine (CID 83824553) is [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine is Cc1ccc(C2(CN)CCCCC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine?
The InChIKey is JFMDUXNZYBSSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-5-6-12(9-13(11)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,16H2,1H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine?
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine has a molecular weight of 237.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 83824553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).