3-[1-(2,6-dibromoanilino)ethyl]phenol

C14H13Br2NO — CID 107597330

IUPAC3-[1-(2,6-dibromoanilino)ethyl]phenol
SMILESCC(Nc1c(Br)cccc1Br)c1cccc(O)c1
InChIInChI=1S/C14H13Br2NO/c1-9(10-4-2-5-11(18)8-10)17-14-12(15)6-3-7-13(14)16/h2-9,17-18H,1H3
InChIKeyHLHJLUYZMNMSOY-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.09
Rot. Bonds3

About 3-[1-(2,6-dibromoanilino)ethyl]phenol

3-[1-(2,6-dibromoanilino)ethyl]phenol (PubChem CID 107597330) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 3-[1-(2,6-dibromoanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2,6-dibromoanilino)ethyl]phenol
PubChem CID107597330
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name3-[1-(2,6-dibromoanilino)ethyl]phenol
SMILESCC(Nc1c(Br)cccc1Br)c1cccc(O)c1
InChIInChI=1S/C14H13Br2NO/c1-9(10-4-2-5-11(18)8-10)17-14-12(15)6-3-7-13(14)16/h2-9,17-18H,1H3
InChIKeyHLHJLUYZMNMSOY-UHFFFAOYSA-N
XLogP5.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.07
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,6-dibromoanilino)ethyl]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

3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910
3-[1-(2-bromo-4-chloroanilino)ethyl]phenol
CID 81263630
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
3-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]ethyl]phenol
CID 43681827
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
CID 82857287
3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
CID 43740839
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dibromoanilino)ethyl]phenol?
The IUPAC name of 3-[1-(2,6-dibromoanilino)ethyl]phenol (CID 107597330) is 3-[1-(2,6-dibromoanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2,6-dibromoanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(2,6-dibromoanilino)ethyl]phenol is CC(Nc1c(Br)cccc1Br)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2,6-dibromoanilino)ethyl]phenol?
The InChIKey is HLHJLUYZMNMSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9(10-4-2-5-11(18)8-10)17-14-12(15)6-3-7-13(14)16/h2-9,17-18H,1H3.
What are the key properties of 3-[1-(2,6-dibromoanilino)ethyl]phenol?
3-[1-(2,6-dibromoanilino)ethyl]phenol has a molecular weight of 371.07 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dibromoanilino)ethyl]phenol is sourced from PubChem (CID 107597330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).