1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine

C18H29NS — CID 64632423

IUPAC1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCCc1ccc(C(CSC2CCCC(C)C2)NC)cc1
InChIInChI=1S/C18H29NS/c1-4-15-8-10-16(11-9-15)18(19-3)13-20-17-7-5-6-14(2)12-17/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyIMMZLBOKHURURL-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.82
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine

1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine (PubChem CID 64632423) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
PubChem CID64632423
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
SMILESCCc1ccc(C(CSC2CCCC(C)C2)NC)cc1
InChIInChI=1S/C18H29NS/c1-4-15-8-10-16(11-9-15)18(19-3)13-20-17-7-5-6-14(2)12-17/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyIMMZLBOKHURURL-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632422
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762815
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332301
2-cyclobutyloxy-1-(4-ethylphenyl)-N-methylethanamine
CID 62139676
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
CID 107525018
N-[1-(4-ethylphenyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64732839
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine (CID 64632423) is 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine is CCc1ccc(C(CSC2CCCC(C)C2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
The InChIKey is IMMZLBOKHURURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-4-15-8-10-16(11-9-15)18(19-3)13-20-17-7-5-6-14(2)12-17/h8-11,14,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine?
1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine has a molecular weight of 291.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine is sourced from PubChem (CID 64632423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).