2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine

C16H16FN3 — CID 174319993

IUPAC2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
SMILESNC=C(/C=N/c1ccc(F)cc1)c1ccc(CN)cc1
InChIInChI=1S/C16H16FN3/c17-15-5-7-16(8-6-15)20-11-14(10-19)13-3-1-12(9-18)2-4-13/h1-8,10-11H,9,18-19H2/b14-10?,20-11+
InChIKeyXGJGBVNCQNHECH-RWVHIZRYSA-N
MW269.32 g/mol
LogP2.99
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine

2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine (PubChem CID 174319993) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
PubChem CID174319993
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine
SMILESNC=C(/C=N/c1ccc(F)cc1)c1ccc(CN)cc1
InChIInChI=1S/C16H16FN3/c17-15-5-7-16(8-6-15)20-11-14(10-19)13-3-1-12(9-18)2-4-13/h1-8,10-11H,9,18-19H2/b14-10?,20-11+
InChIKeyXGJGBVNCQNHECH-RWVHIZRYSA-N
XLogP2.99
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine (CID 174319993) is 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine is NC=C(/C=N/c1ccc(F)cc1)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
The InChIKey is XGJGBVNCQNHECH-RWVHIZRYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-15-5-7-16(8-6-15)20-11-14(10-19)13-3-1-12(9-18)2-4-13/h1-8,10-11H,9,18-19H2/b14-10?,20-11+.
What are the key properties of 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine?
2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine has a molecular weight of 269.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-3-(4-fluorophenyl)iminoprop-1-en-1-amine is sourced from PubChem (CID 174319993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).