2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine

C18H29NS — CID 64634423

IUPAC2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NS/c1-4-19-18(13-20-17-8-6-5-7-9-17)16-11-10-14(2)15(3)12-16/h10-12,17-19H,4-9,13H2,1-3H3
InChIKeyTWPRFLCGXYPZKZ-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.02
Rot. Bonds6

About 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine

2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 64634423) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
PubChem CID64634423
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NS/c1-4-19-18(13-20-17-8-6-5-7-9-17)16-11-10-14(2)15(3)12-16/h10-12,17-19H,4-9,13H2,1-3H3
InChIKeyTWPRFLCGXYPZKZ-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
CID 116544464
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496920
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632422

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine (CID 64634423) is 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine is CCNC(CSC1CCCCC1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is TWPRFLCGXYPZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-4-19-18(13-20-17-8-6-5-7-9-17)16-11-10-14(2)15(3)12-16/h10-12,17-19H,4-9,13H2,1-3H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine?
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 291.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 64634423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).