N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid

C17H18FNO4 — CID 654983

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
SMILESCN(Cc1ccccc1)Cc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C15H16FN.C2H2O4/c1-17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16;3-1(4)2(5)6/h2-10H,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyPMDNOTINRWYVHZ-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.61
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid

N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid (PubChem CID 654983) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
PubChem CID654983
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
SMILESCN(Cc1ccccc1)Cc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C15H16FN.C2H2O4/c1-17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16;3-1(4)2(5)6/h2-10H,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyPMDNOTINRWYVHZ-UHFFFAOYSA-N
XLogP2.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid (CID 654983) is N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid is CN(Cc1ccccc1)Cc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
The InChIKey is PMDNOTINRWYVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN.C2H2O4/c1-17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16;3-1(4)2(5)6/h2-10H,11-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid has a molecular weight of 319.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid is sourced from PubChem (CID 654983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).