2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid

C18H21NO7 — CID 163327227

IUPAC2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
SMILESCOc1ccc(CNCc2cccc(OC)c2O)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO3.C2H2O4/c1-19-14-8-6-12(7-9-14)10-17-11-13-4-3-5-15(20-2)16(13)18;3-1(4)2(5)6/h3-9,17-18H,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGBKDEXUSOJAMCT-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.85
Rot. Bonds6

About 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid

2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid (PubChem CID 163327227) has the molecular formula C18H21NO7 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid.

Molecular Properties

Compound Name2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
PubChem CID163327227
Molecular FormulaC18H21NO7
Molecular Weight363.37 g/mol
Exact Mass363.13
IUPAC Name2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
SMILESCOc1ccc(CNCc2cccc(OC)c2O)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO3.C2H2O4/c1-19-14-8-6-12(7-9-14)10-17-11-13-4-3-5-15(20-2)16(13)18;3-1(4)2(5)6/h3-9,17-18H,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGBKDEXUSOJAMCT-UHFFFAOYSA-N
XLogP1.85
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048
2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol
CID 45030034
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
CID 17367818
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 163367032
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid?
The IUPAC name of 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid (CID 163327227) is 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid.
What is the SMILES notation for 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid?
The canonical SMILES for 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid is COc1ccc(CNCc2cccc(OC)c2O)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid?
The InChIKey is GBKDEXUSOJAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.C2H2O4/c1-19-14-8-6-12(7-9-14)10-17-11-13-4-3-5-15(20-2)16(13)18;3-1(4)2(5)6/h3-9,17-18H,10-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid?
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid has a molecular weight of 363.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid is sourced from PubChem (CID 163327227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).