3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

C15H15F3N2O — CID 80522600

IUPAC3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1cccnc1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-6-2-1-5-11(13)14(21)12(8-19)10-4-3-7-20-9-10/h1-7,9,12,14,21H,8,19H2
InChIKeyRMRVGRJLJJWTEW-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 80522600) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID80522600
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1cccnc1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-6-2-1-5-11(13)14(21)12(8-19)10-4-3-7-20-9-10/h1-7,9,12,14,21H,8,19H2
InChIKeyRMRVGRJLJJWTEW-UHFFFAOYSA-N
XLogP2.88
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 81262776
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 71860186
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 80522600) is 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is NCC(c1cccnc1)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is RMRVGRJLJJWTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)13-6-2-1-5-11(13)14(21)12(8-19)10-4-3-7-20-9-10/h1-7,9,12,14,21H,8,19H2.
What are the key properties of 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 296.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 80522600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).