2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine

C18H19NO2 — CID 11023552

IUPAC2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
SMILESCOc1ccc2oc(Cc3ccccc3)c(CCN)c2c1
InChIInChI=1S/C18H19NO2/c1-20-14-7-8-17-16(12-14)15(9-10-19)18(21-17)11-13-5-3-2-4-6-13/h2-8,12H,9-11,19H2,1H3
InChIKeyQGFKILCLRZPFFK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.53
Rot. Bonds5

About 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine

2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine (PubChem CID 11023552) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
PubChem CID11023552
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
SMILESCOc1ccc2oc(Cc3ccccc3)c(CCN)c2c1
InChIInChI=1S/C18H19NO2/c1-20-14-7-8-17-16(12-14)15(9-10-19)18(21-17)11-13-5-3-2-4-6-13/h2-8,12H,9-11,19H2,1H3
InChIKeyQGFKILCLRZPFFK-UHFFFAOYSA-N
XLogP3.53
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
CID 10926138
2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
CID 11759809
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
3-benzyl-6-methoxy-1,3-benzoxazine-2,4-dione
CID 131857932
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine (CID 11023552) is 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine is COc1ccc2oc(Cc3ccccc3)c(CCN)c2c1.
What is the InChIKey of 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine?
The InChIKey is QGFKILCLRZPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-14-7-8-17-16(12-14)15(9-10-19)18(21-17)11-13-5-3-2-4-6-13/h2-8,12H,9-11,19H2,1H3.
What are the key properties of 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine?
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 11023552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).