N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid

C20H26N2O7 — CID 662770

IUPACN-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C18H24N2O3.C2H2O4/c1-20(12-10-15-7-5-6-11-19-15)13-14-8-9-16(21-2)18(23-4)17(14)22-3;3-1(4)2(5)6/h5-9,11H,10,12-13H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyBZCUCCBJSWTHSM-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.94
Rot. Bonds8

About N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid

N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid (PubChem CID 662770) has the molecular formula C20H26N2O7 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid
PubChem CID662770
Molecular FormulaC20H26N2O7
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC NameN-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C18H24N2O3.C2H2O4/c1-20(12-10-15-7-5-6-11-19-15)13-14-8-9-16(21-2)18(23-4)17(14)22-3;3-1(4)2(5)6/h5-9,11H,10,12-13H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyBZCUCCBJSWTHSM-UHFFFAOYSA-N
XLogP1.94
TPSA118.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
CID 199654
N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 23724238
Pyridin-4-ylmethyl-(3,4,5-trimethoxy-benzyl)-amine hydrochloride
CID 24746782
6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline;oxalic acid
CID 56658426
2,4-Bis(3,4,5-trimethoxyphenyl)pyridine
CID 90670570
2,6-Dimethoxy-4-(2-pyridin-2-ylethyl)phenol
CID 141470730
1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyrrole
CID 162673897
2-Pyridinemethanol, 3,4-dimethyl-alpha-(3,4,5-trimethoxyphenyl)-
CID 3044481
Pyridine, 3,4-dimethyl-2-((3,4,5-trimethoxyphenyl)methyl)-
CID 3044482
4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile
CID 302074
(4-Ethoxy-benzyl)-methyl-(2-pyridin-2-yl-ethyl)-amine
CID 2843156
N-methyl-N-(2-pyridin-2-ylethyl)-N-(3,4,5-trimethoxybenzyl)amine
CID 3239286

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid?
The IUPAC name of N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid (CID 662770) is N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid?
The canonical SMILES for N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid is COc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid?
The InChIKey is BZCUCCBJSWTHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.C2H2O4/c1-20(12-10-15-7-5-6-11-19-15)13-14-8-9-16(21-2)18(23-4)17(14)22-3;3-1(4)2(5)6/h5-9,11H,10,12-13H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid?
N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid has a molecular weight of 406.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 662770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).