2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine

C16H24FNS — CID 66072853

IUPAC2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
SMILESCNC(CSc1ccc(F)cc1)C1CCC(C)CC1
InChIInChI=1S/C16H24FNS/c1-12-3-5-13(6-4-12)16(18-2)11-19-15-9-7-14(17)8-10-15/h7-10,12-13,16,18H,3-6,11H2,1-2H3
InChIKeyNLMSDYBAXJWADE-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine

2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine (PubChem CID 66072853) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
PubChem CID66072853
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
SMILESCNC(CSc1ccc(F)cc1)C1CCC(C)CC1
InChIInChI=1S/C16H24FNS/c1-12-3-5-13(6-4-12)16(18-2)11-19-15-9-7-14(17)8-10-15/h7-10,12-13,16,18H,3-6,11H2,1-2H3
InChIKeyNLMSDYBAXJWADE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072435
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
N-ethyl-1-(4-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066304
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 114347797
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine (CID 66072853) is 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine is CNC(CSc1ccc(F)cc1)C1CCC(C)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is NLMSDYBAXJWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-12-3-5-13(6-4-12)16(18-2)11-19-15-9-7-14(17)8-10-15/h7-10,12-13,16,18H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine?
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 66072853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).