2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine

C16H21NO4 — CID 105030112

IUPAC2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCNC(Cc1ccoc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H21NO4/c1-17-13(7-11-5-6-21-10-11)12-8-14(18-2)16(20-4)15(9-12)19-3/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyJSXJTLSZXVVJBO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.81
Rot. Bonds7

About 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine

2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 105030112) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID105030112
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCNC(Cc1ccoc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H21NO4/c1-17-13(7-11-5-6-21-10-11)12-8-14(18-2)16(20-4)15(9-12)19-3/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyJSXJTLSZXVVJBO-UHFFFAOYSA-N
XLogP2.81
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030051
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 115855639
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
4-[(1S)-1-(methylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
CID 129396234
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 105030112) is 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine is CNC(Cc1ccoc1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is JSXJTLSZXVVJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17-13(7-11-5-6-21-10-11)12-8-14(18-2)16(20-4)15(9-12)19-3/h5-6,8-10,13,17H,7H2,1-4H3.
What are the key properties of 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine?
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 291.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 105030112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).