[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine

C14H20ClNS — CID 66154856

IUPAC[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(Sc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNS/c1-11-6-8-14(10-16,9-7-11)17-13-5-3-2-4-12(13)15/h2-5,11H,6-10,16H2,1H3
InChIKeyKEPDBUVKXOKMHU-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.34
Rot. Bonds3

About [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine

[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine (PubChem CID 66154856) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
PubChem CID66154856
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(Sc2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClNS/c1-11-6-8-14(10-16,9-7-11)17-13-5-3-2-4-12(13)15/h2-5,11H,6-10,16H2,1H3
InChIKeyKEPDBUVKXOKMHU-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine (CID 66154856) is [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine is CC1CCC(CN)(Sc2ccccc2Cl)CC1.
What is the InChIKey of [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The InChIKey is KEPDBUVKXOKMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-11-6-8-14(10-16,9-7-11)17-13-5-3-2-4-12(13)15/h2-5,11H,6-10,16H2,1H3.
What are the key properties of [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
[1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine has a molecular weight of 269.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 66154856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).