1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine

C17H26FNS — CID 105373963

IUPAC1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H26FNS/c1-13-8-9-15(18)10-14(13)11-16(19-2)12-20-17-6-4-3-5-7-17/h8-10,16-17,19H,3-7,11-12H2,1-2H3
InChIKeyDOQUZCNBKQDQEF-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.33
Rot. Bonds6

About 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine

1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine (PubChem CID 105373963) has the molecular formula C17H26FNS and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
PubChem CID105373963
Molecular FormulaC17H26FNS
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Name1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H26FNS/c1-13-8-9-15(18)10-14(13)11-16(19-2)12-20-17-6-4-3-5-7-17/h8-10,16-17,19H,3-7,11-12H2,1-2H3
InChIKeyDOQUZCNBKQDQEF-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-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-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375
[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105227835
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139957

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine (CID 105373963) is 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine is CNC(CSC1CCCCC1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine?
The InChIKey is DOQUZCNBKQDQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNS/c1-13-8-9-15(18)10-14(13)11-16(19-2)12-20-17-6-4-3-5-7-17/h8-10,16-17,19H,3-7,11-12H2,1-2H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine?
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 105373963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).