N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline

C14H13F2NS — CID 43425578

IUPACN-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2cccc(F)c2F)cc1
InChIInChI=1S/C14H13F2NS/c1-18-12-7-5-11(6-8-12)17-9-10-3-2-4-13(15)14(10)16/h2-8,17H,9H2,1H3
InChIKeyJOAJEWGGQXXXEV-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.30
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline

N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline (PubChem CID 43425578) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
PubChem CID43425578
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2cccc(F)c2F)cc1
InChIInChI=1S/C14H13F2NS/c1-18-12-7-5-11(6-8-12)17-9-10-3-2-4-13(15)14(10)16/h2-8,17H,9H2,1H3
InChIKeyJOAJEWGGQXXXEV-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline 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-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylaniline
CID 104791450
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
4-methylsulfanyl-N-[(2-nitrophenyl)methyl]aniline
CID 28573211
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
N'-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 15686149
methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213
2-fluoro-6-[[4-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 115951327

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline (CID 43425578) is N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline is CSc1ccc(NCc2cccc(F)c2F)cc1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline?
The InChIKey is JOAJEWGGQXXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c1-18-12-7-5-11(6-8-12)17-9-10-3-2-4-13(15)14(10)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline?
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline has a molecular weight of 265.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline is sourced from PubChem (CID 43425578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).