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

C14H13Br2NO — CID 107597669

IUPAC2-[1-(2,6-dibromoanilino)ethyl]phenol
SMILESCC(Nc1c(Br)cccc1Br)c1ccccc1O
InChIInChI=1S/C14H13Br2NO/c1-9(10-5-2-3-8-13(10)18)17-14-11(15)6-4-7-12(14)16/h2-9,17-18H,1H3
InChIKeyIDYYHBFVUCQNQB-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.09
Rot. Bonds3

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

2-[1-(2,6-dibromoanilino)ethyl]phenol (PubChem CID 107597669) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-[1-(2,6-dibromoanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2,6-dibromoanilino)ethyl]phenol
PubChem CID107597669
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-[1-(2,6-dibromoanilino)ethyl]phenol
SMILESCC(Nc1c(Br)cccc1Br)c1ccccc1O
InChIInChI=1S/C14H13Br2NO/c1-9(10-5-2-3-8-13(10)18)17-14-11(15)6-4-7-12(14)16/h2-9,17-18H,1H3
InChIKeyIDYYHBFVUCQNQB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
2-[1-(2-bromo-6-fluoroanilino)ethyl]-5-methylphenol
CID 107598521
2-[1-[4-bromo-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43680440
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 107597666
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
CID 60942739
2-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]benzene-1,4-diol
CID 81378471
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dibromoanilino)ethyl]phenol?
The IUPAC name of 2-[1-(2,6-dibromoanilino)ethyl]phenol (CID 107597669) is 2-[1-(2,6-dibromoanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2,6-dibromoanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(2,6-dibromoanilino)ethyl]phenol is CC(Nc1c(Br)cccc1Br)c1ccccc1O.
What is the InChIKey of 2-[1-(2,6-dibromoanilino)ethyl]phenol?
The InChIKey is IDYYHBFVUCQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9(10-5-2-3-8-13(10)18)17-14-11(15)6-4-7-12(14)16/h2-9,17-18H,1H3.
What are the key properties of 2-[1-(2,6-dibromoanilino)ethyl]phenol?
2-[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 2-[1-(2,6-dibromoanilino)ethyl]phenol is sourced from PubChem (CID 107597669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).