3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol

C21H19BrClNO — CID 132593923

IUPAC3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
SMILESOC(CC(Nc1ccc(Br)cc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H19BrClNO/c22-17-8-12-19(13-9-17)24-20(15-6-10-18(23)11-7-15)14-21(25)16-4-2-1-3-5-16/h1-13,20-21,24-25H,14H2
InChIKeyFSTIJJUUTUHTRK-UHFFFAOYSA-N
MW416.75 g/mol
LogP6.38
Rot. Bonds6

About 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol

3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol (PubChem CID 132593923) has the molecular formula C21H19BrClNO and a molecular weight of 416.75 g/mol. Its IUPAC name is 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
PubChem CID132593923
Molecular FormulaC21H19BrClNO
Molecular Weight416.75 g/mol
Exact Mass415.03
IUPAC Name3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
SMILESOC(CC(Nc1ccc(Br)cc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H19BrClNO/c22-17-8-12-19(13-9-17)24-20(15-6-10-18(23)11-7-15)14-21(25)16-4-2-1-3-5-16/h1-13,20-21,24-25H,14H2
InChIKeyFSTIJJUUTUHTRK-UHFFFAOYSA-N
XLogP6.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592769
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-nitroanilino)propan-1-ol
CID 132590823
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 24865344
3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591949
3-(4-bromophenyl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 132591765
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
CID 132590818
4-[[1-(4-chlorophenyl)-3-hydroxy-3-(4-hydroxyphenyl)propyl]amino]benzoic acid
CID 141204468

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol (CID 132593923) is 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol is OC(CC(Nc1ccc(Br)cc1)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol?
The InChIKey is FSTIJJUUTUHTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrClNO/c22-17-8-12-19(13-9-17)24-20(15-6-10-18(23)11-7-15)14-21(25)16-4-2-1-3-5-16/h1-13,20-21,24-25H,14H2.
What are the key properties of 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol?
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol has a molecular weight of 416.75 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 132593923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).