1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol

C15H14ClF2NO2 — CID 60899743

IUPAC1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
SMILESOC(CNc1cc(F)cc(F)c1)COc1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2NO2/c16-10-2-1-3-15(4-10)21-9-14(20)8-19-13-6-11(17)5-12(18)7-13/h1-7,14,19-20H,8-9H2
InChIKeyOZCKTNCUESHYOI-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.47
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol

1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol (PubChem CID 60899743) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
PubChem CID60899743
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
SMILESOC(CNc1cc(F)cc(F)c1)COc1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2NO2/c16-10-2-1-3-15(4-10)21-9-14(20)8-19-13-6-11(17)5-12(18)7-13/h1-7,14,19-20H,8-9H2
InChIKeyOZCKTNCUESHYOI-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
CID 60899861
1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
CID 61467288
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol (CID 60899743) is 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol is OC(CNc1cc(F)cc(F)c1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol?
The InChIKey is OZCKTNCUESHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c16-10-2-1-3-15(4-10)21-9-14(20)8-19-13-6-11(17)5-12(18)7-13/h1-7,14,19-20H,8-9H2.
What are the key properties of 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol?
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol has a molecular weight of 313.73 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol is sourced from PubChem (CID 60899743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).