N-benzyl-2,3-difluoroaniline

C13H11F2N — CID 21321341

IUPACN-benzyl-2,3-difluoroaniline
SMILESFc1cccc(NCc2ccccc2)c1F
InChIInChI=1S/C13H11F2N/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyVWYMZJWGJYOUQT-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.58
Rot. Bonds3

About N-benzyl-2,3-difluoroaniline

N-benzyl-2,3-difluoroaniline (PubChem CID 21321341) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is N-benzyl-2,3-difluoroaniline.

Molecular Properties

Compound NameN-benzyl-2,3-difluoroaniline
PubChem CID21321341
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC NameN-benzyl-2,3-difluoroaniline
SMILESFc1cccc(NCc2ccccc2)c1F
InChIInChI=1S/C13H11F2N/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyVWYMZJWGJYOUQT-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2,3-difluoroaniline 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

2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-[(3,5-dichlorophenyl)methyl]-2,3-difluoroaniline
CID 63452474
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
2-(benzylamino)-6-fluorobenzenecarboximidamide
CID 82253404
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
2-fluoro-N-[(4-iodophenyl)methyl]aniline
CID 65477560
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-difluoroaniline?
The IUPAC name of N-benzyl-2,3-difluoroaniline (CID 21321341) is N-benzyl-2,3-difluoroaniline.
What is the SMILES notation for N-benzyl-2,3-difluoroaniline?
The canonical SMILES for N-benzyl-2,3-difluoroaniline is Fc1cccc(NCc2ccccc2)c1F.
What is the InChIKey of N-benzyl-2,3-difluoroaniline?
The InChIKey is VWYMZJWGJYOUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-2,3-difluoroaniline?
N-benzyl-2,3-difluoroaniline has a molecular weight of 219.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-difluoroaniline is sourced from PubChem (CID 21321341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).