[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine

C18H21NO4 — CID 15941645

IUPAC[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2cc(OC)cc3c2OC(CN)C3)c1
InChIInChI=1S/C18H21NO4/c1-20-12-4-5-17(22-3)15(8-12)16-9-13(21-2)6-11-7-14(10-19)23-18(11)16/h4-6,8-9,14H,7,10,19H2,1-3H3
InChIKeyOLHOYWRFKHFYJG-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.64
Rot. Bonds5

About [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 15941645) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID15941645
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2cc(OC)cc3c2OC(CN)C3)c1
InChIInChI=1S/C18H21NO4/c1-20-12-4-5-17(22-3)15(8-12)16-9-13(21-2)6-11-7-14(10-19)23-18(11)16/h4-6,8-9,14H,7,10,19H2,1-3H3
InChIKeyOLHOYWRFKHFYJG-UHFFFAOYSA-N
XLogP2.64
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 15941645) is [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1ccc(OC)c(-c2cc(OC)cc3c2OC(CN)C3)c1.
What is the InChIKey of [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is OLHOYWRFKHFYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-20-12-4-5-17(22-3)15(8-12)16-9-13(21-2)6-11-7-14(10-19)23-18(11)16/h4-6,8-9,14H,7,10,19H2,1-3H3.
What are the key properties of [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 315.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 15941645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).