[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine

C11H15NO2 — CID 99981796

IUPAC[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCCOc1cccc2c1O[C@H](CN)C2
InChIInChI=1S/C11H15NO2/c1-2-13-10-5-3-4-8-6-9(7-12)14-11(8)10/h3-5,9H,2,6-7,12H2,1H3/t9-/m0/s1
InChIKeyZFVMLUXLKOIHPM-VIFPVBQESA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds3

About [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 99981796) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID99981796
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCCOc1cccc2c1O[C@H](CN)C2
InChIInChI=1S/C11H15NO2/c1-2-13-10-5-3-4-8-6-9(7-12)14-11(8)10/h3-5,9H,2,6-7,12H2,1H3/t9-/m0/s1
InChIKeyZFVMLUXLKOIHPM-VIFPVBQESA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine 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

(7-ethoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 126844412
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95225144
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
[(2R)-7-cyclopentyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129394656
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 99981796) is [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine is CCOc1cccc2c1O[C@H](CN)C2.
What is the InChIKey of [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is ZFVMLUXLKOIHPM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-13-10-5-3-4-8-6-9(7-12)14-11(8)10/h3-5,9H,2,6-7,12H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 99981796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).