3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol

C11H14F3NO2 — CID 63900607

IUPAC3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCC(N)c1cccc(OCC(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-7(15)8-3-2-4-9(5-8)17-6-10(16)11(12,13)14/h2-5,7,10,16H,6,15H2,1H3
InChIKeyUBGYSDYDEAFVPM-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.01
Rot. Bonds4

About 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol

3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900607) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID63900607
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
SMILESCC(N)c1cccc(OCC(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-7(15)8-3-2-4-9(5-8)17-6-10(16)11(12,13)14/h2-5,7,10,16H,6,15H2,1H3
InChIKeyUBGYSDYDEAFVPM-UHFFFAOYSA-N
XLogP2.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1S)-1-aminoethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900014
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638
1-[3-[(1R)-1-aminoethyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 78955931
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-(2-bromo-3,3,3-trifluoropropoxy)-3-propan-2-ylbenzene
CID 64758716
3-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79628999
3-(3,3,3-trifluoro-2-hydroxypropoxy)benzonitrile
CID 63901285
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol (CID 63900607) is 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol is CC(N)c1cccc(OCC(O)C(F)(F)F)c1.
What is the InChIKey of 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UBGYSDYDEAFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(15)8-3-2-4-9(5-8)17-6-10(16)11(12,13)14/h2-5,7,10,16H,6,15H2,1H3.
What are the key properties of 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol?
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).