4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine

C13H14FN3 — CID 106750257

IUPAC4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCc2ccccc2F)cc1N
InChIInChI=1S/C13H14FN3/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7,17H,8,15-16H2
InChIKeyVRURQAAATTWJPU-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.60
Rot. Bonds3

About 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine

4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine (PubChem CID 106750257) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
PubChem CID106750257
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCc2ccccc2F)cc1N
InChIInChI=1S/C13H14FN3/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7,17H,8,15-16H2
InChIKeyVRURQAAATTWJPU-UHFFFAOYSA-N
XLogP2.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine 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

5-fluoro-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 60876320
ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 129011684
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
3-bromo-N-[(2-fluorophenyl)methyl]-4-iodoaniline
CID 114262005
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine (CID 106750257) is 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine is Nc1ccc(NCc2ccccc2F)cc1N.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine?
The InChIKey is VRURQAAATTWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-4-2-1-3-9(11)8-17-10-5-6-12(15)13(16)7-10/h1-7,17H,8,15-16H2.
What are the key properties of 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine?
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine has a molecular weight of 231.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106750257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).