3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol

C24H25Br2NO — CID 132592769

IUPAC3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H25Br2NO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-11-21(26)12-14-22)15-24(28)19-7-9-20(25)10-8-19/h3-14,16,23-24,27-28H,15H2,1-2H3
InChIKeyUWTRXUUJSQCNNW-UHFFFAOYSA-N
MW503.28 g/mol
LogP7.61
Rot. Bonds7

About 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol

3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 132592769) has the molecular formula C24H25Br2NO and a molecular weight of 503.28 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID132592769
Molecular FormulaC24H25Br2NO
Molecular Weight503.28 g/mol
Exact Mass501.03
IUPAC Name3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H25Br2NO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-11-21(26)12-14-22)15-24(28)19-7-9-20(25)10-8-19/h3-14,16,23-24,27-28H,15H2,1-2H3
InChIKeyUWTRXUUJSQCNNW-UHFFFAOYSA-N
XLogP7.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.28
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591949
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol
CID 132592759
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-nitroanilino)propan-1-ol
CID 132590823
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
3-(4-bromophenyl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 132591765
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol (CID 132592769) is 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is UWTRXUUJSQCNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Br2NO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-11-21(26)12-14-22)15-24(28)19-7-9-20(25)10-8-19/h3-14,16,23-24,27-28H,15H2,1-2H3.
What are the key properties of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol?
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 503.28 g/mol, XLogP of 7.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 132592769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).