2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol

C12H14F6N2O — CID 107478462

IUPAC2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
SMILESNCc1cc(C(F)(F)F)ccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)7-20(3-4-21)10-2-1-9(12(16,17)18)5-8(10)6-19/h1-2,5,21H,3-4,6-7,19H2
InChIKeyPNEVZGHURQFCTK-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.53
Rot. Bonds5

About 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol

2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol (PubChem CID 107478462) has the molecular formula C12H14F6N2O and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
PubChem CID107478462
Molecular FormulaC12H14F6N2O
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC Name2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
SMILESNCc1cc(C(F)(F)F)ccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)7-20(3-4-21)10-2-1-9(12(16,17)18)5-8(10)6-19/h1-2,5,21H,3-4,6-7,19H2
InChIKeyPNEVZGHURQFCTK-UHFFFAOYSA-N
XLogP2.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol 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-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
CID 43572623
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
CID 43587076
2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62493136
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
2-[2-bromo-N-propan-2-yl-4-(trifluoromethyl)anilino]ethanol
CID 113326013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol (CID 107478462) is 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol is NCc1cc(C(F)(F)F)ccc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol?
The InChIKey is PNEVZGHURQFCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O/c13-11(14,15)7-20(3-4-21)10-2-1-9(12(16,17)18)5-8(10)6-19/h1-2,5,21H,3-4,6-7,19H2.
What are the key properties of 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol?
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol has a molecular weight of 316.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 107478462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).