N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid

C18H21NO5 — CID 2935661

IUPACN,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid
SMILESCN(C)CCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO.C2H2O4/c1-17(2)12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14;3-1(4)2(5)6/h3-11H,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOETYARQHDPFOAZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.45
Rot. Bonds5

About N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid

N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid (PubChem CID 2935661) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid
PubChem CID2935661
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid
SMILESCN(C)CCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO.C2H2O4/c1-17(2)12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14;3-1(4)2(5)6/h3-11H,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOETYARQHDPFOAZ-UHFFFAOYSA-N
XLogP2.45
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(2-phenylphenoxy)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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid (CID 2935661) is N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid is CN(C)CCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid?
The InChIKey is OETYARQHDPFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C2H2O4/c1-17(2)12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14;3-1(4)2(5)6/h3-11H,12-13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid?
N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid has a molecular weight of 331.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-phenylphenoxy)ethanamine;oxalic acid is sourced from PubChem (CID 2935661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).