(1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol

C16H15F3N2O — CID 169029569

IUPAC(1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol
SMILESNc1ccc2c(c1)C[C@H](O)[C@H]2Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)10-2-1-3-12(8-10)21-15-13-5-4-11(20)6-9(13)7-14(15)22/h1-6,8,14-15,21-22H,7,20H2/t14-,15-/m0/s1
InChIKeyGXGKAMFDYLFVKW-GJZGRUSLSA-N
MW308.30 g/mol
LogP3.36
Rot. Bonds2

About (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol

(1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 169029569) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol
PubChem CID169029569
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name(1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol
SMILESNc1ccc2c(c1)C[C@H](O)[C@H]2Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)10-2-1-3-12(8-10)21-15-13-5-4-11(20)6-9(13)7-14(15)22/h1-6,8,14-15,21-22H,7,20H2/t14-,15-/m0/s1
InChIKeyGXGKAMFDYLFVKW-GJZGRUSLSA-N
XLogP3.36
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-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 (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol (CID 169029569) is (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol is Nc1ccc2c(c1)C[C@H](O)[C@H]2Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is GXGKAMFDYLFVKW-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)10-2-1-3-12(8-10)21-15-13-5-4-11(20)6-9(13)7-14(15)22/h1-6,8,14-15,21-22H,7,20H2/t14-,15-/m0/s1.
What are the key properties of (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 308.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-5-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 169029569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).