1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid

C18H21NO6 — CID 23724326

IUPAC1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
SMILESCOc1cccc(CNCc2ccccc2OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO2.C2H2O4/c1-18-15-8-5-6-13(10-15)11-17-12-14-7-3-4-9-16(14)19-2;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyAFOJOWZJVBIEJR-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.15
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid

1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid (PubChem CID 23724326) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
PubChem CID23724326
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
SMILESCOc1cccc(CNCc2ccccc2OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO2.C2H2O4/c1-18-15-8-5-6-13(10-15)11-17-12-14-7-3-4-9-16(14)19-2;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyAFOJOWZJVBIEJR-UHFFFAOYSA-N
XLogP2.15
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid (CID 23724326) is 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid is COc1cccc(CNCc2ccccc2OC)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
The InChIKey is AFOJOWZJVBIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C2H2O4/c1-18-15-8-5-6-13(10-15)11-17-12-14-7-3-4-9-16(14)19-2;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid?
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid has a molecular weight of 347.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid is sourced from PubChem (CID 23724326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).