2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine

C19H21NO3 — CID 11121585

IUPAC2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
SMILESCOc1ccc(Cc2oc3ccc(OC)cc3c2CCN)cc1
InChIInChI=1S/C19H21NO3/c1-21-14-5-3-13(4-6-14)11-19-16(9-10-20)17-12-15(22-2)7-8-18(17)23-19/h3-8,12H,9-11,20H2,1-2H3
InChIKeyLOWWOYVPRIAKCR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.54
Rot. Bonds6

About 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine

2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine (PubChem CID 11121585) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
PubChem CID11121585
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
SMILESCOc1ccc(Cc2oc3ccc(OC)cc3c2CCN)cc1
InChIInChI=1S/C19H21NO3/c1-21-14-5-3-13(4-6-14)11-19-16(9-10-20)17-12-15(22-2)7-8-18(17)23-19/h3-8,12H,9-11,20H2,1-2H3
InChIKeyLOWWOYVPRIAKCR-UHFFFAOYSA-N
XLogP3.54
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine?
The IUPAC name of 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine (CID 11121585) is 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine?
The canonical SMILES for 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine is COc1ccc(Cc2oc3ccc(OC)cc3c2CCN)cc1.
What is the InChIKey of 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine?
The InChIKey is LOWWOYVPRIAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-21-14-5-3-13(4-6-14)11-19-16(9-10-20)17-12-15(22-2)7-8-18(17)23-19/h3-8,12H,9-11,20H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine?
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine has a molecular weight of 311.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine is sourced from PubChem (CID 11121585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).