1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol

C15H14BrClFNO2 — CID 61467288

IUPAC1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(Cl)c(F)c1)COc1cccc(Br)c1
InChIInChI=1S/C15H14BrClFNO2/c16-10-2-1-3-13(6-10)21-9-12(20)8-19-11-4-5-14(17)15(18)7-11/h1-7,12,19-20H,8-9H2
InChIKeyOAVHXTPTHUKIMZ-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.09
Rot. Bonds6

About 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol

1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol (PubChem CID 61467288) has the molecular formula C15H14BrClFNO2 and a molecular weight of 374.64 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
PubChem CID61467288
Molecular FormulaC15H14BrClFNO2
Molecular Weight374.64 g/mol
Exact Mass372.99
IUPAC Name1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(Cl)c(F)c1)COc1cccc(Br)c1
InChIInChI=1S/C15H14BrClFNO2/c16-10-2-1-3-13(6-10)21-9-12(20)8-19-11-4-5-14(17)15(18)7-11/h1-7,12,19-20H,8-9H2
InChIKeyOAVHXTPTHUKIMZ-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chloroanilino)-3-(3-bromophenoxy)propan-2-ol
CID 81268684
1-(3-bromoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60898164
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
1-(5-bromo-2-chloroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 63492124
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
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-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol (CID 61467288) is 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol is OC(CNc1ccc(Cl)c(F)c1)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol?
The InChIKey is OAVHXTPTHUKIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO2/c16-10-2-1-3-13(6-10)21-9-12(20)8-19-11-4-5-14(17)15(18)7-11/h1-7,12,19-20H,8-9H2.
What are the key properties of 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol?
1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol has a molecular weight of 374.64 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-(4-chloro-3-fluoroanilino)propan-2-ol is sourced from PubChem (CID 61467288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).