N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline

C13H10F4N2 — CID 107643970

IUPACN-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
SMILESNc1ccccc1CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H10F4N2/c14-8-5-9(15)12(17)13(11(8)16)19-6-7-3-1-2-4-10(7)18/h1-5,19H,6,18H2
InChIKeyKGMQYBLUQKYOHI-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.44
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline

N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline (PubChem CID 107643970) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
PubChem CID107643970
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC NameN-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
SMILESNc1ccccc1CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H10F4N2/c14-8-5-9(15)12(17)13(11(8)16)19-6-7-3-1-2-4-10(7)18/h1-5,19H,6,18H2
InChIKeyKGMQYBLUQKYOHI-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol;hydrochloride
CID 44657879
2-(hydrazinylmethyl)aniline
CID 126609519
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline (CID 107643970) is N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline is Nc1ccccc1CNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline?
The InChIKey is KGMQYBLUQKYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c14-8-5-9(15)12(17)13(11(8)16)19-6-7-3-1-2-4-10(7)18/h1-5,19H,6,18H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline?
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline has a molecular weight of 270.23 g/mol, XLogP of 3.44, 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]-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).