2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline

C10H11F3N2 — CID 169464113

IUPAC2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
SMILESNCC=Cc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-3-4-9(15)7(6-8)2-1-5-14/h1-4,6H,5,14-15H2
InChIKeyLUZRYCQPKZUNRJ-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.26
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline

2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline (PubChem CID 169464113) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
PubChem CID169464113
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
SMILESNCC=Cc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-3-4-9(15)7(6-8)2-1-5-14/h1-4,6H,5,14-15H2
InChIKeyLUZRYCQPKZUNRJ-UHFFFAOYSA-N
XLogP2.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline 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-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline (CID 169464113) is 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline is NCC=Cc1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline?
The InChIKey is LUZRYCQPKZUNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)8-3-4-9(15)7(6-8)2-1-5-14/h1-4,6H,5,14-15H2.
What are the key properties of 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline?
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline has a molecular weight of 216.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 169464113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).