2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol

C15H14BrF2NO — CID 61050433

IUPAC2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-15(9-20,10-6-7-12(17)13(18)8-10)19-14-5-3-2-4-11(14)16/h2-8,19-20H,9H2,1H3
InChIKeyFBRXOGDXRQXUKP-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol

2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol (PubChem CID 61050433) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
PubChem CID61050433
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-15(9-20,10-6-7-12(17)13(18)8-10)19-14-5-3-2-4-11(14)16/h2-8,19-20H,9H2,1H3
InChIKeyFBRXOGDXRQXUKP-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 63427998
2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol
CID 63428524
2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
CID 105057734
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920
2-(2-bromoanilino)-2-ethylbutan-1-ol
CID 61050046
2-(4-bromo-2-chlorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 82779756
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol (CID 61050433) is 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol is CC(CO)(Nc1ccccc1Br)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is FBRXOGDXRQXUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-15(9-20,10-6-7-12(17)13(18)8-10)19-14-5-3-2-4-11(14)16/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol?
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 342.18 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61050433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).