3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol

C23H23Br2NO2 — CID 132592759

IUPAC3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23Br2NO2/c1-2-28-21-13-5-16(6-14-21)22(26-20-11-9-19(25)10-12-20)15-23(27)17-3-7-18(24)8-4-17/h3-14,22-23,26-27H,2,15H2,1H3
InChIKeySDOMSVMIUJIFMC-UHFFFAOYSA-N
MW505.25 g/mol
LogP6.89
Rot. Bonds8

About 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol

3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol (PubChem CID 132592759) has the molecular formula C23H23Br2NO2 and a molecular weight of 505.25 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol
PubChem CID132592759
Molecular FormulaC23H23Br2NO2
Molecular Weight505.25 g/mol
Exact Mass503.01
IUPAC Name3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23Br2NO2/c1-2-28-21-13-5-16(6-14-21)22(26-20-11-9-19(25)10-12-20)15-23(27)17-3-7-18(24)8-4-17/h3-14,22-23,26-27H,2,15H2,1H3
InChIKeySDOMSVMIUJIFMC-UHFFFAOYSA-N
XLogP6.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.25
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592769
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
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
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
1-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-3-(4-nitroanilino)propan-1-ol
CID 132591782
4-bromo-2-[1-(4-ethoxyanilino)propyl]phenol
CID 43100870
3-(4-bromophenyl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 132591765
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-nitroanilino)propan-1-ol
CID 132590823
1,3-bis(4-methoxyphenyl)-3-(4-nitroanilino)propan-1-ol
CID 132591721

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol (CID 132592759) is 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol is CCOc1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol?
The InChIKey is SDOMSVMIUJIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Br2NO2/c1-2-28-21-13-5-16(6-14-21)22(26-20-11-9-19(25)10-12-20)15-23(27)17-3-7-18(24)8-4-17/h3-14,22-23,26-27H,2,15H2,1H3.
What are the key properties of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol?
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol has a molecular weight of 505.25 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol is sourced from PubChem (CID 132592759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).