2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol

C15H20F3NO3 — CID 164643351

IUPAC2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol
SMILESOCCN(CCO)C[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F
InChIInChI=1S/C15H20F3NO3/c16-15(17,18)14-12(10-19(5-7-20)6-8-21)9-11-3-1-2-4-13(11)22-14/h1-4,12,14,20-21H,5-10H2/t12-,14+/m1/s1
InChIKeyUWRVQOYYNKJFEZ-OCCSQVGLSA-N
MW319.32 g/mol
LogP1.46
Rot. Bonds6

About 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol (PubChem CID 164643351) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol
PubChem CID164643351
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol
SMILESOCCN(CCO)C[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F
InChIInChI=1S/C15H20F3NO3/c16-15(17,18)14-12(10-19(5-7-20)6-8-21)9-11-3-1-2-4-13(11)22-14/h1-4,12,14,20-21H,5-10H2/t12-,14+/m1/s1
InChIKeyUWRVQOYYNKJFEZ-OCCSQVGLSA-N
XLogP1.46
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol (CID 164643351) is 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol is OCCN(CCO)C[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol?
The InChIKey is UWRVQOYYNKJFEZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H20F3NO3/c16-15(17,18)14-12(10-19(5-7-20)6-8-21)9-11-3-1-2-4-13(11)22-14/h1-4,12,14,20-21H,5-10H2/t12-,14+/m1/s1.
What are the key properties of 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol has a molecular weight of 319.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 164643351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).