1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine

C16H24FNS — CID 55111836

IUPAC1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
SMILESCC1CCCC(SC(c2ccc(F)cc2)C(C)N)C1
InChIInChI=1S/C16H24FNS/c1-11-4-3-5-15(10-11)19-16(12(2)18)13-6-8-14(17)9-7-13/h6-9,11-12,15-16H,3-5,10,18H2,1-2H3
InChIKeyLUBIAJFBGVELTO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.53
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine

1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine (PubChem CID 55111836) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
PubChem CID55111836
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
SMILESCC1CCCC(SC(c2ccc(F)cc2)C(C)N)C1
InChIInChI=1S/C16H24FNS/c1-11-4-3-5-15(10-11)19-16(12(2)18)13-6-8-14(17)9-7-13/h6-9,11-12,15-16H,3-5,10,18H2,1-2H3
InChIKeyLUBIAJFBGVELTO-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 63537922
1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
CID 55176547
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 107520231
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
CID 107525018
2-(3-methylcyclohexyl)sulfanyl-2-phenylethanamine
CID 62721341
1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532460
1-(4-fluorophenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61444270
3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
CID 62778890
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one
CID 62722982
1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene
CID 114773618
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine (CID 55111836) is 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine is CC1CCCC(SC(c2ccc(F)cc2)C(C)N)C1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine?
The InChIKey is LUBIAJFBGVELTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-11-4-3-5-15(10-11)19-16(12(2)18)13-6-8-14(17)9-7-13/h6-9,11-12,15-16H,3-5,10,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine?
1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine is sourced from PubChem (CID 55111836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).