1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol

C17H20FNO2 — CID 60898710

IUPAC1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-2-13-4-3-5-17(10-13)21-12-16(20)11-19-15-8-6-14(18)7-9-15/h3-10,16,19-20H,2,11-12H2,1H3
InChIKeyCGRYVQKUKPOTJA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.24
Rot. Bonds7

About 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol

1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol (PubChem CID 60898710) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
PubChem CID60898710
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-2-13-4-3-5-17(10-13)21-12-16(20)11-19-15-8-6-14(18)7-9-15/h3-10,16,19-20H,2,11-12H2,1H3
InChIKeyCGRYVQKUKPOTJA-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(4-bromophenoxy)-3-(3-ethylanilino)propan-2-ol
CID 60720359
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol (CID 60898710) is 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol is CCc1cccc(OCC(O)CNc2ccc(F)cc2)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
The InChIKey is CGRYVQKUKPOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-13-4-3-5-17(10-13)21-12-16(20)11-19-15-8-6-14(18)7-9-15/h3-10,16,19-20H,2,11-12H2,1H3.
What are the key properties of 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60898710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).