1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol

C12H18FNO3 — CID 60909045

IUPAC1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
SMILESCC(CO)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3/c1-9(7-15)14-6-11(16)8-17-12-4-2-10(13)3-5-12/h2-5,9,11,14-16H,6-8H2,1H3
InChIKeyKSATXFFLJZUZPJ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.54
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol

1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol (PubChem CID 60909045) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
PubChem CID60909045
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
SMILESCC(CO)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3/c1-9(7-15)14-6-11(16)8-17-12-4-2-10(13)3-5-12/h2-5,9,11,14-16H,6-8H2,1H3
InChIKeyKSATXFFLJZUZPJ-UHFFFAOYSA-N
XLogP0.54
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
4-[2-hydroxy-3-(1-hydroxypropan-2-ylamino)propoxy]benzonitrile
CID 60908540
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
3-fluoro-4-[1-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 110028593
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol (CID 60909045) is 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol is CC(CO)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The InChIKey is KSATXFFLJZUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-9(7-15)14-6-11(16)8-17-12-4-2-10(13)3-5-12/h2-5,9,11,14-16H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol has a molecular weight of 243.28 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60909045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).