4-[2-(2-bromo-4-chloroanilino)propyl]phenol

C15H15BrClNO — CID 115494460

IUPAC4-[2-(2-bromo-4-chloroanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C15H15BrClNO/c1-10(8-11-2-5-13(19)6-3-11)18-15-7-4-12(17)9-14(15)16/h2-7,9-10,18-19H,8H2,1H3
InChIKeyCJCDENLQUIFUCD-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.85
Rot. Bonds4

About 4-[2-(2-bromo-4-chloroanilino)propyl]phenol

4-[2-(2-bromo-4-chloroanilino)propyl]phenol (PubChem CID 115494460) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-chloroanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(2-bromo-4-chloroanilino)propyl]phenol
PubChem CID115494460
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name4-[2-(2-bromo-4-chloroanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C15H15BrClNO/c1-10(8-11-2-5-13(19)6-3-11)18-15-7-4-12(17)9-14(15)16/h2-7,9-10,18-19H,8H2,1H3
InChIKeyCJCDENLQUIFUCD-UHFFFAOYSA-N
XLogP4.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-bromo-4-chloroanilino)butyl]phenol
CID 81263195
4-[2-(2,4,6-tribromoanilino)propyl]phenol
CID 115494008
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
3-[1-(2-bromo-4-chloroanilino)ethyl]phenol
CID 81263630
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
CID 115494278
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
5-chloro-2-(1-phenylpropan-2-ylamino)benzenecarbothioamide
CID 63010770

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-chloroanilino)propyl]phenol?
The IUPAC name of 4-[2-(2-bromo-4-chloroanilino)propyl]phenol (CID 115494460) is 4-[2-(2-bromo-4-chloroanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(2-bromo-4-chloroanilino)propyl]phenol?
The canonical SMILES for 4-[2-(2-bromo-4-chloroanilino)propyl]phenol is CC(Cc1ccc(O)cc1)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 4-[2-(2-bromo-4-chloroanilino)propyl]phenol?
The InChIKey is CJCDENLQUIFUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(8-11-2-5-13(19)6-3-11)18-15-7-4-12(17)9-14(15)16/h2-7,9-10,18-19H,8H2,1H3.
What are the key properties of 4-[2-(2-bromo-4-chloroanilino)propyl]phenol?
4-[2-(2-bromo-4-chloroanilino)propyl]phenol has a molecular weight of 340.65 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-chloroanilino)propyl]phenol is sourced from PubChem (CID 115494460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).