1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine

C17H26FNS — CID 66072435

IUPAC1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCCC1CCCCC1C(CSc1ccc(F)cc1)NC
InChIInChI=1S/C17H26FNS/c1-3-13-6-4-5-7-16(13)17(19-2)12-20-15-10-8-14(18)9-11-15/h8-11,13,16-17,19H,3-7,12H2,1-2H3
InChIKeyUUTMGTKCAYJQCV-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.72
Rot. Bonds6

About 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine

1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 66072435) has the molecular formula C17H26FNS and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID66072435
Molecular FormulaC17H26FNS
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Name1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCCC1CCCCC1C(CSc1ccc(F)cc1)NC
InChIInChI=1S/C17H26FNS/c1-3-13-6-4-5-7-16(13)17(19-2)12-20-15-10-8-14(18)9-11-15/h8-11,13,16-17,19H,3-7,12H2,1-2H3
InChIKeyUUTMGTKCAYJQCV-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.72
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
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
N-ethyl-1-(4-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066304
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066110
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115801687
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
1-(2-ethylcyclohexyl)-N-methylhexan-1-amine
CID 115862819

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine (CID 66072435) is 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine is CCC1CCCCC1C(CSc1ccc(F)cc1)NC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is UUTMGTKCAYJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNS/c1-3-13-6-4-5-7-16(13)17(19-2)12-20-15-10-8-14(18)9-11-15/h8-11,13,16-17,19H,3-7,12H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 295.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 66072435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).