2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid

C18H23NO7 — CID 17053061

IUPAC2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccc(C)o2)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C16H21NO3.C2H2O4/c1-12-4-6-14(20-12)11-17-9-8-13-5-7-15(18-2)16(10-13)19-3;3-1(4)2(5)6/h4-7,10,17H,8-9,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDGUDHCSOJTWRPR-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.09
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid

2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid (PubChem CID 17053061) has the molecular formula C18H23NO7 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
PubChem CID17053061
Molecular FormulaC18H23NO7
Molecular Weight365.38 g/mol
Exact Mass365.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccc(C)o2)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C16H21NO3.C2H2O4/c1-12-4-6-14(20-12)11-17-9-8-13-5-7-15(18-2)16(10-13)19-3;3-1(4)2(5)6/h4-7,10,17H,8-9,11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDGUDHCSOJTWRPR-UHFFFAOYSA-N
XLogP2.09
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid 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-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 119108718
4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid
CID 3713118
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651537
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 119111120
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid (CID 17053061) is 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid is COc1ccc(CCNCc2ccc(C)o2)cc1OC.O=C(O)C(=O)O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid?
The InChIKey is DGUDHCSOJTWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3.C2H2O4/c1-12-4-6-14(20-12)11-17-9-8-13-5-7-15(18-2)16(10-13)19-3;3-1(4)2(5)6/h4-7,10,17H,8-9,11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid?
2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid has a molecular weight of 365.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 17053061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).