N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline

C21H18F3NS — CID 143629102

IUPACN-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline
SMILESCN(Cc1ccccc1)c1ccccc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3NS/c1-25(15-16-7-3-2-4-8-16)19-9-5-6-10-20(19)26-18-13-11-17(12-14-18)21(22,23)24/h2-14H,15H2,1H3
InChIKeyGWLBDHOCSFKNDG-UHFFFAOYSA-N
MW373.44 g/mol
LogP6.49
Rot. Bonds5

About N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline

N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline (PubChem CID 143629102) has the molecular formula C21H18F3NS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline
PubChem CID143629102
Molecular FormulaC21H18F3NS
Molecular Weight373.44 g/mol
Exact Mass373.11
IUPAC NameN-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline
SMILESCN(Cc1ccccc1)c1ccccc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H18F3NS/c1-25(15-16-7-3-2-4-8-16)19-9-5-6-10-20(19)26-18-13-11-17(12-14-18)21(22,23)24/h2-14H,15H2,1H3
InChIKeyGWLBDHOCSFKNDG-UHFFFAOYSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline 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

N-benzyl-2-iodo-N-methyl-4-(trifluoromethyl)aniline
CID 162539273
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
CID 66706526
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917144
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
CID 107303897
2-[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid
CID 91875732

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline?
The IUPAC name of N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline (CID 143629102) is N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline is CN(Cc1ccccc1)c1ccccc1Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline?
The InChIKey is GWLBDHOCSFKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NS/c1-25(15-16-7-3-2-4-8-16)19-9-5-6-10-20(19)26-18-13-11-17(12-14-18)21(22,23)24/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline?
N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline has a molecular weight of 373.44 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylaniline is sourced from PubChem (CID 143629102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).