1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol

C13H19F3N2O — CID 13355740

IUPAC1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-12(2,3)18-7-11(19)8-4-5-10(17)9(6-8)13(14,15)16/h4-6,11,18-19H,7,17H2,1-3H3
InChIKeyDCXVJZIGAUPQPB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.71
Rot. Bonds3

About 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol

1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol (PubChem CID 13355740) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
PubChem CID13355740
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-12(2,3)18-7-11(19)8-4-5-10(17)9(6-8)13(14,15)16/h4-6,11,18-19H,7,17H2,1-3H3
InChIKeyDCXVJZIGAUPQPB-UHFFFAOYSA-N
XLogP2.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)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

1-[4-amino-3-(aminomethyl)phenyl]-2-(tert-butylamino)ethanol
CID 172782113
1-(4-aminophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 172679747
2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
CID 24997731
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
CID 153349668
CID 153349668
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol
CID 162747525
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(4-amino-3,5-diiodophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 70405373
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
4-[2-(tert-butylamino)-1-hydroxyethyl]-1-methylpyridin-2-one
CID 138484907

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol?
The IUPAC name of 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol (CID 13355740) is 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol.
What is the SMILES notation for 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol?
The canonical SMILES for 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol is CC(C)(C)NCC(O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol?
The InChIKey is DCXVJZIGAUPQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(2,3)18-7-11(19)8-4-5-10(17)9(6-8)13(14,15)16/h4-6,11,18-19H,7,17H2,1-3H3.
What are the key properties of 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol?
1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol has a molecular weight of 276.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol is sourced from PubChem (CID 13355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).