N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline

C15H13F4NS — CID 43720526

IUPACN-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline
SMILESCC(Nc1ccc(SC(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C15H13F4NS/c1-10(13-4-2-3-5-14(13)16)20-11-6-8-12(9-7-11)21-15(17,18)19/h2-10,20H,1H3
InChIKeyOAEHAXIDUVYLAF-UHFFFAOYSA-N
MW315.34 g/mol
LogP5.61
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline

N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline (PubChem CID 43720526) has the molecular formula C15H13F4NS and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline
PubChem CID43720526
Molecular FormulaC15H13F4NS
Molecular Weight315.34 g/mol
Exact Mass315.07
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline
SMILESCC(Nc1ccc(SC(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C15H13F4NS/c1-10(13-4-2-3-5-14(13)16)20-11-6-8-12(9-7-11)21-15(17,18)19/h2-10,20H,1H3
InChIKeyOAEHAXIDUVYLAF-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline 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

4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43732210
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate
CID 95624540

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline (CID 43720526) is N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline is CC(Nc1ccc(SC(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline?
The InChIKey is OAEHAXIDUVYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NS/c1-10(13-4-2-3-5-14(13)16)20-11-6-8-12(9-7-11)21-15(17,18)19/h2-10,20H,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline?
N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline has a molecular weight of 315.34 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 43720526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).