5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol

C14H13Br2NO2 — CID 107705827

IUPAC5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1cc(Br)ccc1Br)c1cc(O)cc(O)c1
InChIInChI=1S/C14H13Br2NO2/c1-8(9-4-11(18)7-12(19)5-9)17-14-6-10(15)2-3-13(14)16/h2-8,17-19H,1H3
InChIKeyAAYNOPFTHVQMKO-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.80
Rot. Bonds3

About 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol

5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol (PubChem CID 107705827) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
PubChem CID107705827
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1cc(Br)ccc1Br)c1cc(O)cc(O)c1
InChIInChI=1S/C14H13Br2NO2/c1-8(9-4-11(18)7-12(19)5-9)17-14-6-10(15)2-3-13(14)16/h2-8,17-19H,1H3
InChIKeyAAYNOPFTHVQMKO-UHFFFAOYSA-N
XLogP4.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107705933
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
5-bromo-2-[1-(3,5-dihydroxyphenyl)ethylamino]benzonitrile
CID 107707024
2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43736715
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
5-[1-(4-bromo-2-nitroanilino)ethyl]benzene-1,3-diol
CID 107705938
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
5-[1-(2,5-dibromoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43736606
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol (CID 107705827) is 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol is CC(Nc1cc(Br)ccc1Br)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol?
The InChIKey is AAYNOPFTHVQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-8(9-4-11(18)7-12(19)5-9)17-14-6-10(15)2-3-13(14)16/h2-8,17-19H,1H3.
What are the key properties of 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol?
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol has a molecular weight of 387.07 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).