1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol

C17H20FNO2 — CID 60898371

IUPAC1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-12-3-4-13(2)17(9-12)21-11-16(20)10-19-15-7-5-14(18)6-8-15/h3-9,16,19-20H,10-11H2,1-2H3
InChIKeyIOWRBDTXEMWOKI-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.29
Rot. Bonds6

About 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol

1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol (PubChem CID 60898371) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
PubChem CID60898371
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-12-3-4-13(2)17(9-12)21-11-16(20)10-19-15-7-5-14(18)6-8-15/h3-9,16,19-20H,10-11H2,1-2H3
InChIKeyIOWRBDTXEMWOKI-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 60898344
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol (CID 60898371) is 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol is Cc1ccc(C)c(OCC(O)CNc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
The InChIKey is IOWRBDTXEMWOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-3-4-13(2)17(9-12)21-11-16(20)10-19-15-7-5-14(18)6-8-15/h3-9,16,19-20H,10-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol?
1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60898371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).