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

C15H15F3N2O — CID 80525256

IUPAC3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1ccccn1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-5-3-4-10(8-11)14(21)12(9-19)13-6-1-2-7-20-13/h1-8,12,14,21H,9,19H2
InChIKeyIKXCLQSQCRSJFS-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.88
Rot. Bonds4

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

3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 80525256) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID80525256
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1ccccn1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)11-5-3-4-10(8-11)14(21)12(9-19)13-6-1-2-7-20-13/h1-8,12,14,21H,9,19H2
InChIKeyIKXCLQSQCRSJFS-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-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
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1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
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2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
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1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
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3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
CID 65190701
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
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2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 80525256) is 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is NCC(c1ccccn1)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is IKXCLQSQCRSJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)11-5-3-4-10(8-11)14(21)12(9-19)13-6-1-2-7-20-13/h1-8,12,14,21H,9,19H2.
What are the key properties of 3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-2-pyridin-2-yl-1-[3-(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-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 80525256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).