N-[(2-aminophenyl)methyl]-2,6-difluoroaniline

C13H12F2N2 — CID 66385039

IUPACN-[(2-aminophenyl)methyl]-2,6-difluoroaniline
SMILESNc1ccccc1CNc1c(F)cccc1F
InChIInChI=1S/C13H12F2N2/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8,16H2
InChIKeyBBPVYSKWKWMNGZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,6-difluoroaniline

N-[(2-aminophenyl)methyl]-2,6-difluoroaniline (PubChem CID 66385039) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,6-difluoroaniline
PubChem CID66385039
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[(2-aminophenyl)methyl]-2,6-difluoroaniline
SMILESNc1ccccc1CNc1c(F)cccc1F
InChIInChI=1S/C13H12F2N2/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8,16H2
InChIKeyBBPVYSKWKWMNGZ-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

N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,6-difluoroaniline (CID 66385039) is N-[(2-aminophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,6-difluoroaniline is Nc1ccccc1CNc1c(F)cccc1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is BBPVYSKWKWMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-10-5-3-6-11(15)13(10)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2,6-difluoroaniline?
N-[(2-aminophenyl)methyl]-2,6-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]-2,6-difluoroaniline is sourced from PubChem (CID 66385039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).