N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine

C17H27NS — CID 66098636

IUPACN-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)C1CCCC(C)C1
InChIInChI=1S/C17H27NS/c1-13-7-6-9-15(11-13)16(18-3)12-19-17-10-5-4-8-14(17)2/h4-5,8,10,13,15-16,18H,6-7,9,11-12H2,1-3H3
InChIKeyJOHODBZABCPPPR-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.50
Rot. Bonds5

About N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine

N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66098636) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66098636
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)C1CCCC(C)C1
InChIInChI=1S/C17H27NS/c1-13-7-6-9-15(11-13)16(18-3)12-19-17-10-5-4-8-14(17)2/h4-5,8,10,13,15-16,18H,6-7,9,11-12H2,1-3H3
InChIKeyJOHODBZABCPPPR-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096970
2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096114
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 114347793
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097359
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66087010
2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 105155793

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine (CID 66098636) is N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine is CNC(CSc1ccccc1C)C1CCCC(C)C1.
What is the InChIKey of N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is JOHODBZABCPPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-13-7-6-9-15(11-13)16(18-3)12-19-17-10-5-4-8-14(17)2/h4-5,8,10,13,15-16,18H,6-7,9,11-12H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine?
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66098636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).