4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline

C14H12F3NOS — CID 60926562

IUPAC4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
SMILESCOc1ccc(Sc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NOS/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(18)8-12(13)14(15,16)17/h2-8H,18H2,1H3
InChIKeyHFPFKZFTHVYDGE-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.45
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline

4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline (PubChem CID 60926562) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
PubChem CID60926562
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
SMILESCOc1ccc(Sc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NOS/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(18)8-12(13)14(15,16)17/h2-8H,18H2,1H3
InChIKeyHFPFKZFTHVYDGE-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)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

1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene
CID 91877399
3-iodo-4-(4-methoxyphenyl)sulfanylaniline
CID 66093804
4-(2-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
CID 61298177
5-amino-2-(4-methoxyphenyl)sulfanylbenzonitrile
CID 2769212
2-[5-amino-2-(4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91880029
3,5-difluoro-4-(4-methoxyphenyl)sulfanylaniline
CID 54902347
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)aniline
CID 106921696
6-(4-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720140
5,8-bis[(4-methoxyphenyl)sulfanyl]phthalazine
CID 71186149
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-[4-[4-amino-2-(trifluoromethyl)phenyl]sulfanylbutylsulfanyl]-3-(trifluoromethyl)aniline
CID 162610483
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline (CID 60926562) is 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline is COc1ccc(Sc2ccc(N)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline?
The InChIKey is HFPFKZFTHVYDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(18)8-12(13)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline?
4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline has a molecular weight of 299.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 60926562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).