N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine

C19H31NS — CID 64633385

IUPACN-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC(C)C1)c1ccc(C)cc1
InChIInChI=1S/C19H31NS/c1-4-12-20-19(17-10-8-15(2)9-11-17)14-21-18-7-5-6-16(3)13-18/h8-11,16,18-20H,4-7,12-14H2,1-3H3
InChIKeyFDUDWSIRAXLTGC-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.35
Rot. Bonds7

About N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine

N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 64633385) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID64633385
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC(C)C1)c1ccc(C)cc1
InChIInChI=1S/C19H31NS/c1-4-12-20-19(17-10-8-15(2)9-11-17)14-21-18-7-5-6-16(3)13-18/h8-11,16,18-20H,4-7,12-14H2,1-3H3
InChIKeyFDUDWSIRAXLTGC-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632423
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632422
N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
N-[2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 79333233
N-[1-(4-tert-butylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79323052
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63475077

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine (CID 64633385) is N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(CSC1CCCC(C)C1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is FDUDWSIRAXLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-4-12-20-19(17-10-8-15(2)9-11-17)14-21-18-7-5-6-16(3)13-18/h8-11,16,18-20H,4-7,12-14H2,1-3H3.
What are the key properties of N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine?
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64633385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).