N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid

C19H23NO7 — CID 17365906

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
SMILESCOc1ccc(CNCc2ccc(OC)c(OC)c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO3.C2H2O4/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)17(10-14)21-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYINAMSYKYBBPCG-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.16
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid (PubChem CID 17365906) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
PubChem CID17365906
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
SMILESCOc1ccc(CNCc2ccc(OC)c(OC)c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO3.C2H2O4/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)17(10-14)21-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYINAMSYKYBBPCG-UHFFFAOYSA-N
XLogP2.16
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
1-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol;oxalic acid
CID 45074838
1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
CID 17367818
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 84754579
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
CID 11303039
CID 11303039
4-[[(3,4-dimethoxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238935

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid (CID 17365906) is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid is COc1ccc(CNCc2ccc(OC)c(OC)c2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid?
The InChIKey is YINAMSYKYBBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.C2H2O4/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)17(10-14)21-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid?
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid has a molecular weight of 377.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid is sourced from PubChem (CID 17365906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).