1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C17H27NS — CID 106848828

IUPAC1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCSc1ccc(C(NC)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H27NS/c1-4-19-16-10-8-14(9-11-16)17(18-3)15-7-5-6-13(2)12-15/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyOSGPTTRHFATGKE-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.89
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 106848828) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID106848828
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCSc1ccc(C(NC)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H27NS/c1-4-19-16-10-8-14(9-11-16)17(18-3)15-7-5-6-13(2)12-15/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyOSGPTTRHFATGKE-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
[(3-methylcyclohexyl)-(4-propylphenyl)methyl]hydrazine
CID 105210218
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
[(3-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105194279
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 106848828) is 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CCSc1ccc(C(NC)C2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is OSGPTTRHFATGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-19-16-10-8-14(9-11-16)17(18-3)15-7-5-6-13(2)12-15/h8-11,13,15,17-18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 277.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 106848828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).