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

C20H25NO7 — CID 90486198

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccccc1CNCCc1ccc(OC)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO3.C2H2O4/c1-20-16-7-5-4-6-15(16)13-19-11-10-14-8-9-17(21-2)18(12-14)22-3;3-1(4)2(5)6/h4-9,12,19H,10-11,13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKONTXNFFNHWGRY-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.20
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid (PubChem CID 90486198) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
PubChem CID90486198
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccccc1CNCCc1ccc(OC)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO3.C2H2O4/c1-20-16-7-5-4-6-15(16)13-19-11-10-14-8-9-17(21-2)18(12-14)22-3;3-1(4)2(5)6/h4-9,12,19H,10-11,13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKONTXNFFNHWGRY-UHFFFAOYSA-N
XLogP2.20
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.20
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-[(2-methoxyphenyl)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-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid
CID 3713118
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
CID 17053061
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997641
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methoxyphenyl)ethanone
CID 70619100

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid (CID 90486198) is 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid is COc1ccccc1CNCCc1ccc(OC)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid?
The InChIKey is KONTXNFFNHWGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.C2H2O4/c1-20-16-7-5-4-6-15(16)13-19-11-10-14-8-9-17(21-2)18(12-14)22-3;3-1(4)2(5)6/h4-9,12,19H,10-11,13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid?
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid has a molecular weight of 391.42 g/mol, XLogP of 2.20, 8 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-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 90486198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).