2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide

C11H17NO2 — CID 11830333

IUPAC2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
SMILESCOc1ccc(CC[N+](C)(C)[O-])cc1
InChIInChI=1S/C11H17NO2/c1-12(2,13)9-8-10-4-6-11(14-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyXQRXCTHLSQQLND-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide

2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide (PubChem CID 11830333) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
PubChem CID11830333
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
SMILESCOc1ccc(CC[N+](C)(C)[O-])cc1
InChIInChI=1S/C11H17NO2/c1-12(2,13)9-8-10-4-6-11(14-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyXQRXCTHLSQQLND-UHFFFAOYSA-N
XLogP1.81
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methoxy-4-propylbenzene
CID 142085762
bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid
CID 57380509
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
CID 88746382
potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane
CID 71613554
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
1-but-3-enyl-4-methoxybenzene
CID 164669650
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
dihydroxy-[2-(4-methoxyphenyl)ethyl]azanium
CID 163155275

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide?
The IUPAC name of 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide (CID 11830333) is 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide?
The canonical SMILES for 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide is COc1ccc(CC[N+](C)(C)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide?
The InChIKey is XQRXCTHLSQQLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(2,13)9-8-10-4-6-11(14-3)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide?
2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide has a molecular weight of 195.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide is sourced from PubChem (CID 11830333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).