N-[(2-aminophenyl)methyl]-2,3-difluoroaniline

C13H12F2N2 — CID 66419423

IUPACN-[(2-aminophenyl)methyl]-2,3-difluoroaniline
SMILESNc1ccccc1CNc1cccc(F)c1F
InChIInChI=1S/C13H12F2N2/c14-10-5-3-7-12(13(10)15)17-8-9-4-1-2-6-11(9)16/h1-7,17H,8,16H2
InChIKeyJDAGOFPWEAVQLC-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,3-difluoroaniline

N-[(2-aminophenyl)methyl]-2,3-difluoroaniline (PubChem CID 66419423) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,3-difluoroaniline
PubChem CID66419423
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[(2-aminophenyl)methyl]-2,3-difluoroaniline
SMILESNc1ccccc1CNc1cccc(F)c1F
InChIInChI=1S/C13H12F2N2/c14-10-5-3-7-12(13(10)15)17-8-9-4-1-2-6-11(9)16/h1-7,17H,8,16H2
InChIKeyJDAGOFPWEAVQLC-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
2-[(2-chloroanilino)methyl]aniline
CID 66387029
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
N-benzyl-2,3-difluoroaniline
CID 21321341
4-[(2,3-difluoroanilino)methyl]benzene-1,3-diol
CID 61075014
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
N-[(2-aminophenyl)methyl]-3-bromo-2-methylaniline
CID 107630212
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-[(2-fluorophenyl)methyl]aniline
CID 21497428

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,3-difluoroaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,3-difluoroaniline (CID 66419423) is N-[(2-aminophenyl)methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,3-difluoroaniline is Nc1ccccc1CNc1cccc(F)c1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,3-difluoroaniline?
The InChIKey is JDAGOFPWEAVQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-10-5-3-7-12(13(10)15)17-8-9-4-1-2-6-11(9)16/h1-7,17H,8,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2,3-difluoroaniline?
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline has a molecular weight of 234.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,3-difluoroaniline is sourced from PubChem (CID 66419423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).