2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine

C13H11F3N2 — CID 3729763

IUPAC2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)17/h1-8,18H,17H2
InChIKeyAWUGJXBGADQEFJ-UHFFFAOYSA-N
MW252.24 g/mol
LogP4.03
Rot. Bonds2

About 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine

2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine (PubChem CID 3729763) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
PubChem CID3729763
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)17/h1-8,18H,17H2
InChIKeyAWUGJXBGADQEFJ-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine 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

2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
methyl 3-amino-4-[3-(trifluoromethyl)anilino]benzoate
CID 100628739
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
4-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 155344319
3-[2-amino-4-(trifluoromethyl)anilino]benzonitrile
CID 43148749
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
propan-2-yl 3-amino-4-[3-(trifluoromethyl)anilino]benzoate
CID 100628805

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine (CID 3729763) is 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine is Nc1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The InChIKey is AWUGJXBGADQEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)17/h1-8,18H,17H2.
What are the key properties of 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine?
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine has a molecular weight of 252.24 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 3729763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).