2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone

C16H15NO2 — CID 116917463

IUPAC2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H15NO2/c1-17-14-5-2-11(3-6-14)16(18)13-4-7-15-12(10-13)8-9-19-15/h2-7,10,17H,8-9H2,1H3
InChIKeyMVUVOWMIMRQQBL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.89
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone

2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone (PubChem CID 116917463) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
PubChem CID116917463
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H15NO2/c1-17-14-5-2-11(3-6-14)16(18)13-4-7-15-12(10-13)8-9-19-15/h2-7,10,17H,8-9H2,1H3
InChIKeyMVUVOWMIMRQQBL-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone (CID 116917463) is 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone?
The InChIKey is MVUVOWMIMRQQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17-14-5-2-11(3-6-14)16(18)13-4-7-15-12(10-13)8-9-19-15/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone?
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone has a molecular weight of 253.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone is sourced from PubChem (CID 116917463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).