1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol

C15H14BrF2NO2 — CID 60898264

IUPAC1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
SMILESOC(CNc1cc(F)ccc1F)COc1ccc(Br)cc1
InChIInChI=1S/C15H14BrF2NO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-7-11(17)3-6-14(15)18/h1-7,12,19-20H,8-9H2
InChIKeyDTIQILBZLUOGDP-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol

1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol (PubChem CID 60898264) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
PubChem CID60898264
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
SMILESOC(CNc1cc(F)ccc1F)COc1ccc(Br)cc1
InChIInChI=1S/C15H14BrF2NO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-7-11(17)3-6-14(15)18/h1-7,12,19-20H,8-9H2
InChIKeyDTIQILBZLUOGDP-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(3-bromo-4-fluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 104777587
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(4-bromophenoxy)-3-(3-fluoro-5-methylanilino)propan-2-ol
CID 79044447
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
CID 107606464

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol (CID 60898264) is 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol is OC(CNc1cc(F)ccc1F)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol?
The InChIKey is DTIQILBZLUOGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-7-11(17)3-6-14(15)18/h1-7,12,19-20H,8-9H2.
What are the key properties of 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol?
1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol has a molecular weight of 358.18 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol is sourced from PubChem (CID 60898264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).