4-[2-(2,4,6-tribromoanilino)propyl]phenol

C15H14Br3NO — CID 115494008

IUPAC4-[2-(2,4,6-tribromoanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C15H14Br3NO/c1-9(6-10-2-4-12(20)5-3-10)19-15-13(17)7-11(16)8-14(15)18/h2-5,7-9,19-20H,6H2,1H3
InChIKeyUMVZDLGEEYVLBX-UHFFFAOYSA-N
MW464.00 g/mol
LogP5.72
Rot. Bonds4

About 4-[2-(2,4,6-tribromoanilino)propyl]phenol

4-[2-(2,4,6-tribromoanilino)propyl]phenol (PubChem CID 115494008) has the molecular formula C15H14Br3NO and a molecular weight of 464.00 g/mol. Its IUPAC name is 4-[2-(2,4,6-tribromoanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(2,4,6-tribromoanilino)propyl]phenol
PubChem CID115494008
Molecular FormulaC15H14Br3NO
Molecular Weight464.00 g/mol
Exact Mass460.86
IUPAC Name4-[2-(2,4,6-tribromoanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C15H14Br3NO/c1-9(6-10-2-4-12(20)5-3-10)19-15-13(17)7-11(16)8-14(15)18/h2-5,7-9,19-20H,6H2,1H3
InChIKeyUMVZDLGEEYVLBX-UHFFFAOYSA-N
XLogP5.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.00
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-(2-bromo-4-chloroanilino)propyl]phenol
CID 115494460
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 143748239
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzene-1,3-diol
CID 43695780
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
2,4,6-tribromo-N-pentan-2-ylaniline
CID 43126298
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
CID 114830408
3-(2,4,6-tribromoanilino)butanenitrile
CID 60913132
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,6-tribromoanilino)propyl]phenol?
The IUPAC name of 4-[2-(2,4,6-tribromoanilino)propyl]phenol (CID 115494008) is 4-[2-(2,4,6-tribromoanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(2,4,6-tribromoanilino)propyl]phenol?
The canonical SMILES for 4-[2-(2,4,6-tribromoanilino)propyl]phenol is CC(Cc1ccc(O)cc1)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 4-[2-(2,4,6-tribromoanilino)propyl]phenol?
The InChIKey is UMVZDLGEEYVLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO/c1-9(6-10-2-4-12(20)5-3-10)19-15-13(17)7-11(16)8-14(15)18/h2-5,7-9,19-20H,6H2,1H3.
What are the key properties of 4-[2-(2,4,6-tribromoanilino)propyl]phenol?
4-[2-(2,4,6-tribromoanilino)propyl]phenol has a molecular weight of 464.00 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,6-tribromoanilino)propyl]phenol is sourced from PubChem (CID 115494008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).