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

C24H25BrFNO — CID 132592767

IUPAC1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H25BrFNO/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
InChIKeyRUAWFVAOWHCVQJ-UHFFFAOYSA-N
MW442.37 g/mol
LogP6.99
Rot. Bonds7

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

1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 132592767) has the molecular formula C24H25BrFNO and a molecular weight of 442.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID132592767
Molecular FormulaC24H25BrFNO
Molecular Weight442.37 g/mol
Exact Mass441.11
IUPAC Name1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H25BrFNO/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
InChIKeyRUAWFVAOWHCVQJ-UHFFFAOYSA-N
XLogP6.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591949
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592769
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
3-(4-bromoanilino)-1-(4-bromophenyl)-3-(4-ethoxyphenyl)propan-1-ol
CID 132592759
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979
3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol
CID 132592638
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol (CID 132592767) is 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(CC(O)c2ccc(Br)cc2)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is RUAWFVAOWHCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrFNO/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 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol?
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 442.37 g/mol, XLogP of 6.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 132592767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).