2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid

C14H21NO7 — CID 2935317

IUPAC2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid
SMILESCOc1cccc(OC)c1OCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO3.C2H2O4/c1-13(2)8-9-16-12-10(14-3)6-5-7-11(12)15-4;3-1(4)2(5)6/h5-7H,8-9H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyBHAPYBVPAFEOHV-UHFFFAOYSA-N
MW315.32 g/mol
LogP0.80
Rot. Bonds6

About 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid

2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid (PubChem CID 2935317) has the molecular formula C14H21NO7 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid
PubChem CID2935317
Molecular FormulaC14H21NO7
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid
SMILESCOc1cccc(OC)c1OCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO3.C2H2O4/c1-13(2)8-9-16-12-10(14-3)6-5-7-11(12)15-4;3-1(4)2(5)6/h5-7H,8-9H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyBHAPYBVPAFEOHV-UHFFFAOYSA-N
XLogP0.80
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid (CID 2935317) is 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid is COc1cccc(OC)c1OCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid?
The InChIKey is BHAPYBVPAFEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.C2H2O4/c1-13(2)8-9-16-12-10(14-3)6-5-7-11(12)15-4;3-1(4)2(5)6/h5-7H,8-9H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid?
2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid has a molecular weight of 315.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 2935317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).