1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone

C17H17NO2 — CID 118759914

IUPAC1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)CC(CN)O2
InChIInChI=1S/C17H17NO2/c1-11(19)15-4-2-3-5-16(15)12-6-7-17-13(8-12)9-14(10-18)20-17/h2-8,14H,9-10,18H2,1H3
InChIKeyBDOZCXPFERVCLT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.82
Rot. Bonds3

About 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone

1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone (PubChem CID 118759914) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone
PubChem CID118759914
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)CC(CN)O2
InChIInChI=1S/C17H17NO2/c1-11(19)15-4-2-3-5-16(15)12-6-7-17-13(8-12)9-14(10-18)20-17/h2-8,14H,9-10,18H2,1H3
InChIKeyBDOZCXPFERVCLT-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylpropanamide
CID 26343807
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
CID 42406034
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 45204492
(2S)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42169368
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-phenylprop-2-ynamide
CID 42417778
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylpentanamide
CID 45172673
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
CID 42345096
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-2-carboxamide
CID 126465751
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
CID 26278177
(3R)-N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42449762
(3S)-N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42449760
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 45165822

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone (CID 118759914) is 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1ccc2c(c1)CC(CN)O2.
What is the InChIKey of 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone?
The InChIKey is BDOZCXPFERVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(19)15-4-2-3-5-16(15)12-6-7-17-13(8-12)9-14(10-18)20-17/h2-8,14H,9-10,18H2,1H3.
What are the key properties of 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone?
1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone is sourced from PubChem (CID 118759914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).