[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine

C14H20ClN — CID 84799016

IUPAC[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
SMILESCc1cc(Cl)cc(C2(CN)CCCCC2)c1
InChIInChI=1S/C14H20ClN/c1-11-7-12(9-13(15)8-11)14(10-16)5-3-2-4-6-14/h7-9H,2-6,10,16H2,1H3
InChIKeyFDDCCFZLDIXVIG-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.81
Rot. Bonds2

About [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine

[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine (PubChem CID 84799016) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
PubChem CID84799016
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
SMILESCc1cc(Cl)cc(C2(CN)CCCCC2)c1
InChIInChI=1S/C14H20ClN/c1-11-7-12(9-13(15)8-11)14(10-16)5-3-2-4-6-14/h7-9H,2-6,10,16H2,1H3
InChIKeyFDDCCFZLDIXVIG-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-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
[1-(3,5-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353499
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine (CID 84799016) is [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine is Cc1cc(Cl)cc(C2(CN)CCCCC2)c1.
What is the InChIKey of [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine?
The InChIKey is FDDCCFZLDIXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-7-12(9-13(15)8-11)14(10-16)5-3-2-4-6-14/h7-9H,2-6,10,16H2,1H3.
What are the key properties of [1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine?
[1-(3-chloro-5-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-5-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 84799016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).