1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol

C16H19FN2O2 — CID 81391897

IUPAC1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H19FN2O2/c1-12(16-4-2-3-9-18-16)19-10-14(20)11-21-15-7-5-13(17)6-8-15/h2-9,12,14,19-20H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyKKYOOHHDLSOUPZ-PUODRLBUSA-N
MW290.34 g/mol
LogP2.31
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol

1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol (PubChem CID 81391897) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
PubChem CID81391897
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H19FN2O2/c1-12(16-4-2-3-9-18-16)19-10-14(20)11-21-15-7-5-13(17)6-8-15/h2-9,12,14,19-20H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyKKYOOHHDLSOUPZ-PUODRLBUSA-N
XLogP2.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
CID 97307213
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate
CID 31298486
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol (CID 81391897) is 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The InChIKey is KKYOOHHDLSOUPZ-PUODRLBUSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-12(16-4-2-3-9-18-16)19-10-14(20)11-21-15-7-5-13(17)6-8-15/h2-9,12,14,19-20H,10-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol has a molecular weight of 290.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81391897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).