2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol

C10H13F3N2O — CID 59947969

IUPAC2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)(c1ccccc1N)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-15-6-9(16,10(11,12)13)7-4-2-3-5-8(7)14/h2-5,15-16H,6,14H2,1H3
InChIKeyGOPHJEHJDSNROY-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol

2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol (PubChem CID 59947969) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
PubChem CID59947969
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)(c1ccccc1N)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-15-6-9(16,10(11,12)13)7-4-2-3-5-8(7)14/h2-5,15-16H,6,14H2,1H3
InChIKeyGOPHJEHJDSNROY-UHFFFAOYSA-N
XLogP1.24
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol 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-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The IUPAC name of 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol (CID 59947969) is 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The canonical SMILES for 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol is CNCC(O)(c1ccccc1N)C(F)(F)F.
What is the InChIKey of 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The InChIKey is GOPHJEHJDSNROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-15-6-9(16,10(11,12)13)7-4-2-3-5-8(7)14/h2-5,15-16H,6,14H2,1H3.
What are the key properties of 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol is sourced from PubChem (CID 59947969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).