3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol

C15H13Br2NO2 — CID 43126164

IUPAC3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1cc(Br)c(NC2COc3cc(O)ccc32)c(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-8-4-11(16)15(12(17)5-8)18-13-7-20-14-6-9(19)2-3-10(13)14/h2-6,13,18-19H,7H2,1H3
InChIKeyCVEDHMCDRLDKDY-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.77
Rot. Bonds2

About 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43126164) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43126164
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1cc(Br)c(NC2COc3cc(O)ccc32)c(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-8-4-11(16)15(12(17)5-8)18-13-7-20-14-6-9(19)2-3-10(13)14/h2-6,13,18-19H,7H2,1H3
InChIKeyCVEDHMCDRLDKDY-UHFFFAOYSA-N
XLogP4.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 60924790
3-(5-chloro-2-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43189473
3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43740842
3-(4-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194315
3-(3-chloroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43194202
3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
3-[1-(5-methylthiophen-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61473460
3-[(4,5-dimethylthiophen-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 65246507
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(4-bromo-2-nitroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43746630

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 43126164) is 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is Cc1cc(Br)c(NC2COc3cc(O)ccc32)c(Br)c1.
What is the InChIKey of 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is CVEDHMCDRLDKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-8-4-11(16)15(12(17)5-8)18-13-7-20-14-6-9(19)2-3-10(13)14/h2-6,13,18-19H,7H2,1H3.
What are the key properties of 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 399.08 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43126164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).