2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine

C16H18FNS — CID 107524758

IUPAC2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESCc1ccc(C)c(SCC(N)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FNS/c1-11-6-7-12(2)16(8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9,15H,10,18H2,1-2H3
InChIKeyGRRXVTXFXRZKIT-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine

2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine (PubChem CID 107524758) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
PubChem CID107524758
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESCc1ccc(C)c(SCC(N)c2cccc(F)c2)c1
InChIInChI=1S/C16H18FNS/c1-11-6-7-12(2)16(8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9,15H,10,18H2,1-2H3
InChIKeyGRRXVTXFXRZKIT-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine 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

2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
CID 107525144
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine (CID 107524758) is 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine is Cc1ccc(C)c(SCC(N)c2cccc(F)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is GRRXVTXFXRZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-6-7-12(2)16(8-11)19-10-15(18)13-4-3-5-14(17)9-13/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107524758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).