2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine

C15H23NS — CID 55016794

IUPAC2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)SC2CCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-12-7-9-13(10-8-12)15(11-16)17-14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,16H2,1H3
InChIKeySMAYFCFZVOQTQW-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine

2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine (PubChem CID 55016794) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine
PubChem CID55016794
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)SC2CCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-12-7-9-13(10-8-12)15(11-16)17-14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,16H2,1H3
InChIKeySMAYFCFZVOQTQW-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
CID 55015755
2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
CID 63115195
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228
2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine
CID 63115096
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 45358024
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
CID 82244196

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine (CID 55016794) is 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine is Cc1ccc(C(CN)SC2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine?
The InChIKey is SMAYFCFZVOQTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-7-9-13(10-8-12)15(11-16)17-14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,16H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine?
2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 55016794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).