4-[3-(2,5-dibromoanilino)butyl]phenol

C16H17Br2NO — CID 43736822

IUPAC4-[3-(2,5-dibromoanilino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C16H17Br2NO/c1-11(2-3-12-4-7-14(20)8-5-12)19-16-10-13(17)6-9-15(16)18/h4-11,19-20H,2-3H2,1H3
InChIKeyBYIWSRJTPJNTGD-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.35
Rot. Bonds5

About 4-[3-(2,5-dibromoanilino)butyl]phenol

4-[3-(2,5-dibromoanilino)butyl]phenol (PubChem CID 43736822) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 4-[3-(2,5-dibromoanilino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2,5-dibromoanilino)butyl]phenol
PubChem CID43736822
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name4-[3-(2,5-dibromoanilino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C16H17Br2NO/c1-11(2-3-12-4-7-14(20)8-5-12)19-16-10-13(17)6-9-15(16)18/h4-11,19-20H,2-3H2,1H3
InChIKeyBYIWSRJTPJNTGD-UHFFFAOYSA-N
XLogP5.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2,5-dibromoanilino)butyl]phenol 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

4-[3-(2-bromo-4-chloroanilino)butyl]phenol
CID 81263195
4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811
4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
CID 65342611
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43777522
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
CID 104862530
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
5-bromo-2-(4-phenylbutan-2-ylamino)benzonitrile
CID 82708146
4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
CID 79358775
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dibromoanilino)butyl]phenol?
The IUPAC name of 4-[3-(2,5-dibromoanilino)butyl]phenol (CID 43736822) is 4-[3-(2,5-dibromoanilino)butyl]phenol.
What is the SMILES notation for 4-[3-(2,5-dibromoanilino)butyl]phenol?
The canonical SMILES for 4-[3-(2,5-dibromoanilino)butyl]phenol is CC(CCc1ccc(O)cc1)Nc1cc(Br)ccc1Br.
What is the InChIKey of 4-[3-(2,5-dibromoanilino)butyl]phenol?
The InChIKey is BYIWSRJTPJNTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-11(2-3-12-4-7-14(20)8-5-12)19-16-10-13(17)6-9-15(16)18/h4-11,19-20H,2-3H2,1H3.
What are the key properties of 4-[3-(2,5-dibromoanilino)butyl]phenol?
4-[3-(2,5-dibromoanilino)butyl]phenol has a molecular weight of 399.13 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dibromoanilino)butyl]phenol is sourced from PubChem (CID 43736822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).