1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C20H23NO4 — CID 47009083

IUPAC1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-13(17-11-15-7-5-6-8-16(15)25-17)21-12-14-9-18(22-2)20(24-4)19(10-14)23-3/h5-11,13,21H,12H2,1-4H3
InChIKeySQYUVDROJZPFBH-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.31
Rot. Bonds7

About 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 47009083) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID47009083
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cc3ccccc3o2)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-13(17-11-15-7-5-6-8-16(15)25-17)21-12-14-9-18(22-2)20(24-4)19(10-14)23-3/h5-11,13,21H,12H2,1-4H3
InChIKeySQYUVDROJZPFBH-UHFFFAOYSA-N
XLogP4.31
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66416307
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine
CID 102833052
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 47009083) is 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(CNC(C)c2cc3ccccc3o2)cc(OC)c1OC.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is SQYUVDROJZPFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(17-11-15-7-5-6-8-16(15)25-17)21-12-14-9-18(22-2)20(24-4)19(10-14)23-3/h5-11,13,21H,12H2,1-4H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 341.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 47009083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).