(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol

C17H17F3N2O — CID 155154282

IUPAC(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESO[C@H](CNC1Cc2ccccc2C1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)16-7-3-6-14(22-16)15(23)10-21-13-8-11-4-1-2-5-12(11)9-13/h1-7,13,15,21,23H,8-10H2/t15-/m1/s1
InChIKeyUSDJOCGJXVHJCX-OAHLLOKOSA-N
MW322.33 g/mol
LogP2.89
Rot. Bonds4

About (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol

(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 155154282) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID155154282
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESO[C@H](CNC1Cc2ccccc2C1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)16-7-3-6-14(22-16)15(23)10-21-13-8-11-4-1-2-5-12(11)9-13/h1-7,13,15,21,23H,8-10H2/t15-/m1/s1
InChIKeyUSDJOCGJXVHJCX-OAHLLOKOSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol (CID 155154282) is (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol is O[C@H](CNC1Cc2ccccc2C1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is USDJOCGJXVHJCX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)16-7-3-6-14(22-16)15(23)10-21-13-8-11-4-1-2-5-12(11)9-13/h1-7,13,15,21,23H,8-10H2/t15-/m1/s1.
What are the key properties of (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol?
(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 322.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 155154282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).