N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid

C20H25NO6 — CID 172885008

IUPACN-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1C.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-12-6-8-16(10-13(12)2)19-11-15-7-9-17(20-4)14(3)18(15)21-5;3-1(4)2(5)6/h6-10,19H,11H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyKZQFLJUTBZCQBR-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.40
Rot. Bonds5

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

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid (PubChem CID 172885008) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid
PubChem CID172885008
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1C.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-12-6-8-16(10-13(12)2)19-11-15-7-9-17(20-4)14(3)18(15)21-5;3-1(4)2(5)6/h6-10,19H,11H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyKZQFLJUTBZCQBR-UHFFFAOYSA-N
XLogP3.40
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 171154855
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(3-methoxyphenyl)methyl]-3,4-dimethylaniline;oxalic acid
CID 17367859
3-methyl-4-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 60507459
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(3-fluorophenyl)ethanamine;oxalic acid
CID 17367514
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
4-[(4-methoxy-3-methylanilino)methyl]benzene-1,2,3-triol
CID 103952978
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid?
The IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid (CID 172885008) is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid.
What is the SMILES notation for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid?
The canonical SMILES for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid is COc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1C.O=C(O)C(=O)O.
What is the InChIKey of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid?
The InChIKey is KZQFLJUTBZCQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C2H2O4/c1-12-6-8-16(10-13(12)2)19-11-15-7-9-17(20-4)14(3)18(15)21-5;3-1(4)2(5)6/h6-10,19H,11H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid?
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid has a molecular weight of 375.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid is sourced from PubChem (CID 172885008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).