1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine

C16H18FNS — CID 65143326

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C16H18FNS/c1-12-10-13(17)8-9-15(12)16(18-2)11-19-14-6-4-3-5-7-14/h3-10,16,18H,11H2,1-2H3
InChIKeyBSKIHPLIPVDTIW-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine (PubChem CID 65143326) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
PubChem CID65143326
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C16H18FNS/c1-12-10-13(17)8-9-15(12)16(18-2)11-19-14-6-4-3-5-7-14/h3-10,16,18H,11H2,1-2H3
InChIKeyBSKIHPLIPVDTIW-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine 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-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 106881610
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82822057
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine (CID 65143326) is 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine is CNC(CSc1ccccc1)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The InChIKey is BSKIHPLIPVDTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-12-10-13(17)8-9-15(12)16(18-2)11-19-14-6-4-3-5-7-14/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 65143326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).