3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol

C15H15F3N2O2 — CID 170875003

IUPAC3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
SMILESNC(CCO)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)11-2-1-3-12(8-11)22-14-5-4-10(9-20-14)13(19)6-7-21/h1-5,8-9,13,21H,6-7,19H2
InChIKeyMETUFXCDFPIBAS-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.27
Rot. Bonds5

About 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol

3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol (PubChem CID 170875003) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
PubChem CID170875003
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
SMILESNC(CCO)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)11-2-1-3-12(8-11)22-14-5-4-10(9-20-14)13(19)6-7-21/h1-5,8-9,13,21H,6-7,19H2
InChIKeyMETUFXCDFPIBAS-UHFFFAOYSA-N
XLogP3.27
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170875135
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
6-[3-(trifluoromethyl)phenoxy]pyridazin-3-amine
CID 14294275
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol (CID 170875003) is 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol is NC(CCO)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol?
The InChIKey is METUFXCDFPIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-15(17,18)11-2-1-3-12(8-11)22-14-5-4-10(9-20-14)13(19)6-7-21/h1-5,8-9,13,21H,6-7,19H2.
What are the key properties of 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol?
3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol has a molecular weight of 312.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 170875003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).