N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine

C16H25NS — CID 65143188

IUPACN-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)C1CCC(C)CC1
InChIInChI=1S/C16H25NS/c1-13-8-10-14(11-9-13)16(17-2)12-18-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyBYSXDZUJQXKZPV-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.19
Rot. Bonds5

About N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine

N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine (PubChem CID 65143188) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
PubChem CID65143188
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)C1CCC(C)CC1
InChIInChI=1S/C16H25NS/c1-13-8-10-14(11-9-13)16(17-2)12-18-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyBYSXDZUJQXKZPV-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine
CID 105228166
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine (CID 65143188) is N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine is CNC(CSc1ccccc1)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine?
The InChIKey is BYSXDZUJQXKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-13-8-10-14(11-9-13)16(17-2)12-18-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine?
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 65143188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).