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

C19H24N2O6 — CID 163327128

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
SMILESCCN(Cc1ccncc1)Cc1cccc(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-4-19(12-14-8-10-18-11-9-14)13-15-6-5-7-16(20-2)17(15)21-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySABPHOJJFQJJMN-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.28
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid (PubChem CID 163327128) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
PubChem CID163327128
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
SMILESCCN(Cc1ccncc1)Cc1cccc(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-4-19(12-14-8-10-18-11-9-14)13-15-6-5-7-16(20-2)17(15)21-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySABPHOJJFQJJMN-UHFFFAOYSA-N
XLogP2.28
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 783447
1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45226304
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289162
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 75430689
N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
CID 131899641
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid (CID 163327128) is N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid is CCN(Cc1ccncc1)Cc1cccc(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
The InChIKey is SABPHOJJFQJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C2H2O4/c1-4-19(12-14-8-10-18-11-9-14)13-15-6-5-7-16(20-2)17(15)21-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid has a molecular weight of 376.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid is sourced from PubChem (CID 163327128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).