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

C17H19NO2 — CID 60924790

IUPAC3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCc1cccc(C)c1NC1COc2cc(O)ccc21
InChIInChI=1S/C17H19NO2/c1-3-12-6-4-5-11(2)17(12)18-15-10-20-16-9-13(19)7-8-14(15)16/h4-9,15,18-19H,3,10H2,1-2H3
InChIKeyQXAIYSVPDCMTGG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.81
Rot. Bonds3

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

3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 60924790) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID60924790
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCCc1cccc(C)c1NC1COc2cc(O)ccc21
InChIInChI=1S/C17H19NO2/c1-3-12-6-4-5-11(2)17(12)18-15-10-20-16-9-13(19)7-8-14(15)16/h4-9,15,18-19H,3,10H2,1-2H3
InChIKeyQXAIYSVPDCMTGG-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
2-[4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]phenyl]acetamide
CID 43724199
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43682338
3-(2-fluoro-6-nitroanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 81305960
2-chloro-N-(2-ethyl-6-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689949
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 60924790) is 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is CCc1cccc(C)c1NC1COc2cc(O)ccc21.
What is the InChIKey of 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QXAIYSVPDCMTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-12-6-4-5-11(2)17(12)18-15-10-20-16-9-13(19)7-8-14(15)16/h4-9,15,18-19H,3,10H2,1-2H3.
What are the key properties of 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 269.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 60924790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).