N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid

C17H19NO4 — CID 163328136

IUPACN-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
SMILESCN(Cc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H17N.C2H2O4/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;3-1(4)2(5)6/h2-11H,12-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyAKLGBIRXXDPLNF-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.47
Rot. Bonds4

About N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid

N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid (PubChem CID 163328136) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
PubChem CID163328136
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
SMILESCN(Cc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H17N.C2H2O4/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;3-1(4)2(5)6/h2-11H,12-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyAKLGBIRXXDPLNF-UHFFFAOYSA-N
XLogP2.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
CID 21390504
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid?
The IUPAC name of N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid (CID 163328136) is N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid.
What is the SMILES notation for N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid?
The canonical SMILES for N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid is CN(Cc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid?
The InChIKey is AKLGBIRXXDPLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C2H2O4/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;3-1(4)2(5)6/h2-11H,12-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid?
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid has a molecular weight of 301.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid is sourced from PubChem (CID 163328136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).