(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C16H15NO3 — CID 107469285

IUPAC(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CCO3)c1N
InChIInChI=1S/C16H15NO3/c1-19-14-4-2-3-12(15(14)17)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9H,7-8,17H2,1H3
InChIKeyINWKRBQSLASMKK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.44
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 107469285) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID107469285
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCOc1cccc(C(=O)c2ccc3c(c2)CCO3)c1N
InChIInChI=1S/C16H15NO3/c1-19-14-4-2-3-12(15(14)17)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9H,7-8,17H2,1H3
InChIKeyINWKRBQSLASMKK-UHFFFAOYSA-N
XLogP2.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814974
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200694
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 107469137
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 107469285) is (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is COc1cccc(C(=O)c2ccc3c(c2)CCO3)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is INWKRBQSLASMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-14-4-2-3-12(15(14)17)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9H,7-8,17H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 107469285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).