1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid

C17H20N2O5 — CID 17382607

IUPAC1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
SMILESCOc1ccc(C(C)NCc2cccnc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H18N2O.C2H2O4/c1-12(14-5-7-15(18-2)8-6-14)17-11-13-4-3-9-16-10-13;3-1(4)2(5)6/h3-10,12,17H,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCCLDJCZFSZVWJI-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.10
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid

1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid (PubChem CID 17382607) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
PubChem CID17382607
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
SMILESCOc1ccc(C(C)NCc2cccnc2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H18N2O.C2H2O4/c1-12(14-5-7-15(18-2)8-6-14)17-11-13-4-3-9-16-10-13;3-1(4)2(5)6/h3-10,12,17H,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCCLDJCZFSZVWJI-UHFFFAOYSA-N
XLogP2.10
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95276770
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 94535067

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid?
The IUPAC name of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid (CID 17382607) is 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid is COc1ccc(C(C)NCc2cccnc2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid?
The InChIKey is CCLDJCZFSZVWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C2H2O4/c1-12(14-5-7-15(18-2)8-6-14)17-11-13-4-3-9-16-10-13;3-1(4)2(5)6/h3-10,12,17H,11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid?
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid has a molecular weight of 332.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid is sourced from PubChem (CID 17382607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).