[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H19NO3 — CID 129383363

IUPAC[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2O[C@H](CN)C3)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-12-6-7-14(16(9-12)20-2)15-5-3-4-11-8-13(10-18)21-17(11)15/h3-7,9,13H,8,10,18H2,1-2H3/t13-/m0/s1
InChIKeyFHOGVHQVOBCNPJ-ZDUSSCGKSA-N
MW285.34 g/mol
LogP2.63
Rot. Bonds4

About [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129383363) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129383363
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2O[C@H](CN)C3)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-12-6-7-14(16(9-12)20-2)15-5-3-4-11-8-13(10-18)21-17(11)15/h3-7,9,13H,8,10,18H2,1-2H3/t13-/m0/s1
InChIKeyFHOGVHQVOBCNPJ-ZDUSSCGKSA-N
XLogP2.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129383363) is [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1ccc(-c2cccc3c2O[C@H](CN)C3)c(OC)c1.
What is the InChIKey of [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is FHOGVHQVOBCNPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-12-6-7-14(16(9-12)20-2)15-5-3-4-11-8-13(10-18)21-17(11)15/h3-7,9,13H,8,10,18H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 285.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129383363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).