[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine

C14H20ClNS — CID 117428108

IUPAC[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCSc1cccc(Cl)c1C1(CN)CCCCC1
InChIInChI=1S/C14H20ClNS/c1-17-12-7-5-6-11(15)13(12)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3
InChIKeyUIAXMMATMSHHQI-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.22
Rot. Bonds3

About [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine

[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine (PubChem CID 117428108) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
PubChem CID117428108
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCSc1cccc(Cl)c1C1(CN)CCCCC1
InChIInChI=1S/C14H20ClNS/c1-17-12-7-5-6-11(15)13(12)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3
InChIKeyUIAXMMATMSHHQI-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
CID 117384952
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine (CID 117428108) is [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine is CSc1cccc(Cl)c1C1(CN)CCCCC1.
What is the InChIKey of [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine?
The InChIKey is UIAXMMATMSHHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-17-12-7-5-6-11(15)13(12)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3.
What are the key properties of [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine?
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine has a molecular weight of 269.84 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117428108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).