2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid

C14H21NO6 — CID 2936004

IUPAC2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
SMILESCOc1cc(C)ccc1OCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO2.C2H2O4/c1-10-5-6-11(12(9-10)14-4)15-8-7-13(2)3;3-1(4)2(5)6/h5-6,9H,7-8H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyUJGQJCZONGQWFG-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.10
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid

2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid (PubChem CID 2936004) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
PubChem CID2936004
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
SMILESCOc1cc(C)ccc1OCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO2.C2H2O4/c1-10-5-6-11(12(9-10)14-4)15-8-7-13(2)3;3-1(4)2(5)6/h5-6,9H,7-8H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyUJGQJCZONGQWFG-UHFFFAOYSA-N
XLogP1.10
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2934581
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
CID 2935417
2-[2-(dimethylamino)ethoxy]-4-methylbenzenesulfonic acid
CID 87290604
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid (CID 2936004) is 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid is COc1cc(C)ccc1OCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid?
The InChIKey is UJGQJCZONGQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H2O4/c1-10-5-6-11(12(9-10)14-4)15-8-7-13(2)3;3-1(4)2(5)6/h5-6,9H,7-8H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid?
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid has a molecular weight of 299.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 2936004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).