1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine

C17H23NO3 — CID 105030051

IUPAC1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2ccoc2)NC)cc1OCC
InChIInChI=1S/C17H23NO3/c1-4-20-16-7-6-14(11-17(16)21-5-2)15(18-3)10-13-8-9-19-12-13/h6-9,11-12,15,18H,4-5,10H2,1-3H3
InChIKeyRQYBGUXTBGAWEH-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.58
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine

1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 105030051) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID105030051
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2ccoc2)NC)cc1OCC
InChIInChI=1S/C17H23NO3/c1-4-20-16-7-6-14(11-17(16)21-5-2)15(18-3)10-13-8-9-19-12-13/h6-9,11-12,15,18H,4-5,10H2,1-3H3
InChIKeyRQYBGUXTBGAWEH-UHFFFAOYSA-N
XLogP3.58
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(3-ethoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175084
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
CID 115863730
2-(furan-3-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 83175534
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
[1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331455
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine (CID 105030051) is 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine is CCOc1ccc(C(Cc2ccoc2)NC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is RQYBGUXTBGAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-20-16-7-6-14(11-17(16)21-5-2)15(18-3)10-13-8-9-19-12-13/h6-9,11-12,15,18H,4-5,10H2,1-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine?
1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 105030051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).