1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine

C18H29NS — CID 64632422

IUPAC1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCNC(CSC1CCCC(C)C1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NS/c1-13-6-5-7-17(10-13)20-12-18(19-4)16-9-8-14(2)15(3)11-16/h8-9,11,13,17-19H,5-7,10,12H2,1-4H3
InChIKeyISEVWGMRGJQHEE-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.88
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine

1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine (PubChem CID 64632422) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
PubChem CID64632422
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCNC(CSC1CCCC(C)C1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NS/c1-13-6-5-7-17(10-13)20-12-18(19-4)16-9-8-14(2)15(3)11-16/h8-9,11,13,17-19H,5-7,10,12H2,1-4H3
InChIKeyISEVWGMRGJQHEE-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632423
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
2-(cyclopentylmethoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66321330
1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
CID 63474390
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
CID 107525018
2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288990
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
1-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfanylethanol
CID 55111272

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine (CID 64632422) is 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine is CNC(CSC1CCCC(C)C1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The InChIKey is ISEVWGMRGJQHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-13-6-5-7-17(10-13)20-12-18(19-4)16-9-8-14(2)15(3)11-16/h8-9,11,13,17-19H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine has a molecular weight of 291.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine is sourced from PubChem (CID 64632422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).