3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one

C16H15NO2 — CID 24971517

IUPAC3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
SMILESNCCC1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C16H15NO2/c17-11-10-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15(18)19-16/h1-9H,10-11,17H2
InChIKeyULDJWDSYUPTIQG-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one

3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one (PubChem CID 24971517) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
PubChem CID24971517
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
SMILESNCCC1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C16H15NO2/c17-11-10-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15(18)19-16/h1-9H,10-11,17H2
InChIKeyULDJWDSYUPTIQG-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(nitromethyl)-3-phenyl-2-benzofuran-1-one
CID 177465354
N-(benzenesulfonyl)-N-[[(1S)-3-oxo-1-phenyl-2-benzofuran-1-yl]methyl]benzenesulfonamide
CID 155935374
3-(4-methylphenyl)-3-(phenylselanylmethyl)-2-benzofuran-1-one
CID 132514689
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3-pentyl-3-(1H-pyrrol-3-yl)-2-benzofuran-1-one
CID 70566259
prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate
CID 102266534
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3-amino-3-propyl-2-benzofuran-1-one
CID 70621686
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
1-butyl-3-butylidene-1-phenyl-2-benzofuran
CID 75584726

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one?
The IUPAC name of 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one (CID 24971517) is 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one is NCCC1(c2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one?
The InChIKey is ULDJWDSYUPTIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-11-10-16(12-6-2-1-3-7-12)14-9-5-4-8-13(14)15(18)19-16/h1-9H,10-11,17H2.
What are the key properties of 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one?
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 24971517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).