3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol

C16H17NO2 — CID 82978423

IUPAC3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc(N(C)C2COc3cc(O)ccc32)cc1
InChIInChI=1S/C16H17NO2/c1-11-3-5-12(6-4-11)17(2)15-10-19-16-9-13(18)7-8-14(15)16/h3-9,15,18H,10H2,1-2H3
InChIKeyHOBAMVNUTMIARO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds2

About 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82978423) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82978423
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc(N(C)C2COc3cc(O)ccc32)cc1
InChIInChI=1S/C16H17NO2/c1-11-3-5-12(6-4-11)17(2)15-10-19-16-9-13(18)7-8-14(15)16/h3-9,15,18H,10H2,1-2H3
InChIKeyHOBAMVNUTMIARO-UHFFFAOYSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82976511
3-[methyl(3-methylbutan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977660
3-[cyclopentyl(methyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82974967
3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978838
3-[methyl(3-methylbutyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82986050
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)-methylamino]-2-methylpropanoic acid
CID 65061336
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 105418854
3-[propan-2-yl(propyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 82977422
4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170446465
3-[(4-aminocyclohexyl)-ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 79115818
3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454

Frequently Asked Questions

What is the IUPAC name of 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 82978423) is 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol is Cc1ccc(N(C)C2COc3cc(O)ccc32)cc1.
What is the InChIKey of 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is HOBAMVNUTMIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-3-5-12(6-4-11)17(2)15-10-19-16-9-13(18)7-8-14(15)16/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 255.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-dimethylanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82978423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).