2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid

C15H21Cl2NO6 — CID 2935189

IUPAC2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
SMILESCc1cc(Cl)cc(Cl)c1OCCOCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C13H19Cl2NO2.C2H2O4/c1-10-8-11(14)9-12(15)13(10)18-7-6-17-5-4-16(2)3;3-1(4)2(5)6/h8-9H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOXNXIWKEKLLARA-UHFFFAOYSA-N
MW382.24 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid

2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid (PubChem CID 2935189) has the molecular formula C15H21Cl2NO6 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
PubChem CID2935189
Molecular FormulaC15H21Cl2NO6
Molecular Weight382.24 g/mol
Exact Mass381.07
IUPAC Name2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
SMILESCc1cc(Cl)cc(Cl)c1OCCOCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C13H19Cl2NO2.C2H2O4/c1-10-8-11(14)9-12(15)13(10)18-7-6-17-5-4-16(2)3;3-1(4)2(5)6/h8-9H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOXNXIWKEKLLARA-UHFFFAOYSA-N
XLogP2.41
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid (CID 2935189) is 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid is Cc1cc(Cl)cc(Cl)c1OCCOCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
The InChIKey is OXNXIWKEKLLARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2.C2H2O4/c1-10-8-11(14)9-12(15)13(10)18-7-6-17-5-4-16(2)3;3-1(4)2(5)6/h8-9H,4-7H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid?
2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid has a molecular weight of 382.24 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 2935189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).