2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol

C15H14BrCl2NO — CID 63428524

IUPAC2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-15(9-20,11-8-10(17)6-7-13(11)18)19-14-5-3-2-4-12(14)16/h2-8,19-20H,9H2,1H3
InChIKeyYGWWEMVPZOFXSA-UHFFFAOYSA-N
MW375.09 g/mol
LogP5.08
Rot. Bonds4

About 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol

2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol (PubChem CID 63428524) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol
PubChem CID63428524
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-15(9-20,11-8-10(17)6-7-13(11)18)19-14-5-3-2-4-12(14)16/h2-8,19-20H,9H2,1H3
InChIKeyYGWWEMVPZOFXSA-UHFFFAOYSA-N
XLogP5.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 63427998
2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
CID 61048485
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(4-bromo-2-chlorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 82779756
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
CID 105057734
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(2-bromoanilino)-2-ethylbutan-1-ol
CID 61050046
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol (CID 63428524) is 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol is CC(CO)(Nc1ccccc1Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol?
The InChIKey is YGWWEMVPZOFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-15(9-20,11-8-10(17)6-7-13(11)18)19-14-5-3-2-4-12(14)16/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol?
2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol has a molecular weight of 375.09 g/mol, XLogP of 5.08, 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-(2,5-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 63428524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).