1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid

C15H15FN2O4 — CID 17052907

IUPAC1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
SMILESFc1ccccc1CNCc1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C13H13FN2.C2H2O4/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12;3-1(4)2(5)6/h1-8,15H,9-10H2;(H,3,4)(H,5,6)
InChIKeyOCPFSGIPTPHLAK-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid

1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid (PubChem CID 17052907) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
PubChem CID17052907
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
SMILESFc1ccccc1CNCc1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C13H13FN2.C2H2O4/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12;3-1(4)2(5)6/h1-8,15H,9-10H2;(H,3,4)(H,5,6)
InChIKeyOCPFSGIPTPHLAK-UHFFFAOYSA-N
XLogP1.67
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80707816

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid?
The IUPAC name of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid (CID 17052907) is 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid?
The canonical SMILES for 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid is Fc1ccccc1CNCc1ccccn1.O=C(O)C(=O)O.
What is the InChIKey of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid?
The InChIKey is OCPFSGIPTPHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2.C2H2O4/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12;3-1(4)2(5)6/h1-8,15H,9-10H2;(H,3,4)(H,5,6).
What are the key properties of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid?
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid has a molecular weight of 306.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid is sourced from PubChem (CID 17052907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).