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

C20H25NO6 — CID 17367721

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccccc2C)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-14-6-4-5-7-16(14)13-19-11-10-15-8-9-17(20-2)18(12-15)21-3;3-1(4)2(5)6/h4-9,12,19H,10-11,13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUISJNEJVQHNBGF-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.50
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid (PubChem CID 17367721) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
PubChem CID17367721
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccccc2C)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-14-6-4-5-7-16(14)13-19-11-10-15-8-9-17(20-2)18(12-15)21-3;3-1(4)2(5)6/h4-9,12,19H,10-11,13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUISJNEJVQHNBGF-UHFFFAOYSA-N
XLogP2.50
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807
2-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124822309
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
CID 17053061
4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzoic acid
CID 3713118
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111213210
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
2-[[2-(3-methoxy-4-methylphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 22018525

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid (CID 17367721) is 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid is COc1ccc(CCNCc2ccccc2C)cc1OC.O=C(O)C(=O)O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid?
The InChIKey is UISJNEJVQHNBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C2H2O4/c1-14-6-4-5-7-16(14)13-19-11-10-15-8-9-17(20-2)18(12-15)21-3;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-methylphenyl)methyl]ethanamine;oxalic acid?
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid has a molecular weight of 375.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 17367721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).