3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol

C16H12F3NO — CID 163740452

IUPAC3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(O)c2ccccc21
InChIInChI=1S/C16H12F3NO/c17-16(18,19)10-5-3-4-9(8-10)13-14(20)11-6-1-2-7-12(11)15(13)21/h1-8,15,21H,20H2
InChIKeyLHGKOTZIDHXIHP-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.58
Rot. Bonds1

About 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol

3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol (PubChem CID 163740452) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol
PubChem CID163740452
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol
SMILESNC1=C(c2cccc(C(F)(F)F)c2)C(O)c2ccccc21
InChIInChI=1S/C16H12F3NO/c17-16(18,19)10-5-3-4-9(8-10)13-14(20)11-6-1-2-7-12(11)15(13)21/h1-8,15,21H,20H2
InChIKeyLHGKOTZIDHXIHP-UHFFFAOYSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol 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-[(Dimethylamino)methyl]-6-(trifluoromethyl)phenyl]-phenylmethanol
CID 264972
(1R)-1-[4-[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]phenyl]-2,2-difluoroethanol
CID 15941791
1-[4-[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]phenyl]-2,2-difluoroethanol
CID 15942073
2-[2-Amino-3-[hydroxy(phenyl)methyl]-5-(trifluoromethyl)phenyl]ethanol
CID 20248436
[3-[(1-amino-3,7-dihydro-2H-inden-5-yl)methyl]-5-(trifluoromethyl)phenyl]methanol
CID 66733861
(1R,2R)-2-amino-3-methyl-4-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 67673742
2-Amino-3-methyl-4-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 67673743
[4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methanol
CID 90915028
[4-[1-[[4-Phenyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]methanol
CID 90981218
[4-[1-[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]-2-ethylphenyl]methanol
CID 91227163
(3-Aminophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 106695737
(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 118340404

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol?
The IUPAC name of 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol (CID 163740452) is 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol.
What is the SMILES notation for 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol?
The canonical SMILES for 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol is NC1=C(c2cccc(C(F)(F)F)c2)C(O)c2ccccc21.
What is the InChIKey of 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol?
The InChIKey is LHGKOTZIDHXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)10-5-3-4-9(8-10)13-14(20)11-6-1-2-7-12(11)15(13)21/h1-8,15,21H,20H2.
What are the key properties of 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol?
3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol has a molecular weight of 291.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(trifluoromethyl)phenyl]-1H-inden-1-ol is sourced from PubChem (CID 163740452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).