1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine

C17H27NS — CID 43783226

IUPAC1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
SMILESCSc1ccc(C(C)NC(C)C2CCCCC2)cc1
InChIInChI=1S/C17H27NS/c1-13(15-7-5-4-6-8-15)18-14(2)16-9-11-17(19-3)12-10-16/h9-15,18H,4-8H2,1-3H3
InChIKeyVJOJEMQSZFQMKW-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.03
Rot. Bonds5

About 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine

1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine (PubChem CID 43783226) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
PubChem CID43783226
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
SMILESCSc1ccc(C(C)NC(C)C2CCCCC2)cc1
InChIInChI=1S/C17H27NS/c1-13(15-7-5-4-6-8-15)18-14(2)16-9-11-17(19-3)12-10-16/h9-15,18H,4-8H2,1-3H3
InChIKeyVJOJEMQSZFQMKW-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929
5-[1-(1-cyclohexylethylamino)ethyl]benzene-1,3-diol
CID 107706461
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine (CID 43783226) is 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine is CSc1ccc(C(C)NC(C)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine?
The InChIKey is VJOJEMQSZFQMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-13(15-7-5-4-6-8-15)18-14(2)16-9-11-17(19-3)12-10-16/h9-15,18H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine?
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine has a molecular weight of 277.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine is sourced from PubChem (CID 43783226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).