1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine

C16H24FNS — CID 63532460

IUPAC1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1SC1CCCC(C)C1
InChIInChI=1S/C16H24FNS/c1-11-5-4-6-14(9-11)19-16-8-7-13(17)10-15(16)12(2)18-3/h7-8,10-12,14,18H,4-6,9H2,1-3H3
InChIKeyYNCUAEZGGFSTNM-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.78
Rot. Bonds4

About 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine

1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine (PubChem CID 63532460) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
PubChem CID63532460
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1SC1CCCC(C)C1
InChIInChI=1S/C16H24FNS/c1-11-5-4-6-14(9-11)19-16-8-7-13(17)10-15(16)12(2)18-3/h7-8,10-12,14,18H,4-6,9H2,1-3H3
InChIKeyYNCUAEZGGFSTNM-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532457
3-(difluoromethyl)-4-(3-methylcyclohexyl)sulfanylaniline
CID 63736565
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64717998
1-[5-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 82973207
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63807774
(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 78951607
1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43519080
N-[[3-fluoro-4-(3-methylcyclohexyl)sulfanylphenyl]methyl]propan-1-amine
CID 63808662
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
3-chloro-4-(3-methylcyclohexyl)sulfanylaniline
CID 63537225

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine (CID 63532460) is 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1SC1CCCC(C)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine?
The InChIKey is YNCUAEZGGFSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-11-5-4-6-14(9-11)19-16-8-7-13(17)10-15(16)12(2)18-3/h7-8,10-12,14,18H,4-6,9H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine?
1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine is sourced from PubChem (CID 63532460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).