[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine

C14H20ClNS — CID 62720819

IUPAC[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
SMILESCC1CCCC(Sc2cccc(Cl)c2CN)C1
InChIInChI=1S/C14H20ClNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h3,6-7,10-11H,2,4-5,8-9,16H2,1H3
InChIKeyKUGKBIZVIGEUGW-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.47
Rot. Bonds3

About [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine

[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine (PubChem CID 62720819) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
PubChem CID62720819
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
SMILESCC1CCCC(Sc2cccc(Cl)c2CN)C1
InChIInChI=1S/C14H20ClNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h3,6-7,10-11H,2,4-5,8-9,16H2,1H3
InChIKeyKUGKBIZVIGEUGW-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine?
The IUPAC name of [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine (CID 62720819) is [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine?
The canonical SMILES for [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine is CC1CCCC(Sc2cccc(Cl)c2CN)C1.
What is the InChIKey of [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine?
The InChIKey is KUGKBIZVIGEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(15)12(14)9-16/h3,6-7,10-11H,2,4-5,8-9,16H2,1H3.
What are the key properties of [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine?
[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine has a molecular weight of 269.84 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 62720819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).