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

C16H18N2O5 — CID 17367682

IUPACN-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
SMILESCOc1ccccc1CNCc1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C14H16N2O.C2H2O4/c1-17-14-7-3-2-6-13(14)11-16-10-12-5-4-8-15-9-12;3-1(4)2(5)6/h2-9,16H,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyJMAKAMHWOJVFJG-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.54
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid (PubChem CID 17367682) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
PubChem CID17367682
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
SMILESCOc1ccccc1CNCc1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C14H16N2O.C2H2O4/c1-17-14-7-3-2-6-13(14)11-16-10-12-5-4-8-15-9-12;3-1(4)2(5)6/h2-9,16H,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyJMAKAMHWOJVFJG-UHFFFAOYSA-N
XLogP1.54
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.54
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

2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 84746205
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid (CID 17367682) is N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid is COc1ccccc1CNCc1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid?
The InChIKey is JMAKAMHWOJVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C2H2O4/c1-17-14-7-3-2-6-13(14)11-16-10-12-5-4-8-15-9-12;3-1(4)2(5)6/h2-9,16H,10-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid?
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid has a molecular weight of 318.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid is sourced from PubChem (CID 17367682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).