(1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol

C16H15F3N2O — CID 162687909

IUPAC(1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol
SMILESNc1ccc2c(c1)[C@@H](Nc1cccc(C(F)(F)F)c1)[C@H](O)C2
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)10-2-1-3-12(7-10)21-15-13-8-11(20)5-4-9(13)6-14(15)22/h1-5,7-8,14-15,21-22H,6,20H2/t14-,15-/m1/s1
InChIKeyHNJAJMHFUZAUAY-HUUCEWRRSA-N
MW308.30 g/mol
LogP3.36
Rot. Bonds2

About (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol

(1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 162687909) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol
PubChem CID162687909
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name(1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol
SMILESNc1ccc2c(c1)[C@@H](Nc1cccc(C(F)(F)F)c1)[C@H](O)C2
InChIInChI=1S/C16H15F3N2O/c17-16(18,19)10-2-1-3-12(7-10)21-15-13-8-11(20)5-4-9(13)6-14(15)22/h1-5,7-8,14-15,21-22H,6,20H2/t14-,15-/m1/s1
InChIKeyHNJAJMHFUZAUAY-HUUCEWRRSA-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'}

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Related Compounds

N-[2-hydroxy-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411837
N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
CID 102081817
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
4-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 155344319
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43175754
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
aniline;3-(trifluoromethyl)aniline
CID 160634583

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol (CID 162687909) is (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol is Nc1ccc2c(c1)[C@@H](Nc1cccc(C(F)(F)F)c1)[C@H](O)C2.
What is the InChIKey of (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HNJAJMHFUZAUAY-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-16(18,19)10-2-1-3-12(7-10)21-15-13-8-11(20)5-4-9(13)6-14(15)22/h1-5,7-8,14-15,21-22H,6,20H2/t14-,15-/m1/s1.
What are the key properties of (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-6-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 (1R,2R)-6-amino-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 162687909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).