2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine

C15H23NO2 — CID 58592129

IUPAC2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
SMILESC=Cc1ccc(COCCOCCN(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-14-5-7-15(8-6-14)13-18-12-11-17-10-9-16(2)3/h4-8H,1,9-13H2,2-3H3
InChIKeyBGEXAROTOIRBLU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds9

About 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine

2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine (PubChem CID 58592129) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
PubChem CID58592129
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
SMILESC=Cc1ccc(COCCOCCN(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-14-5-7-15(8-6-14)13-18-12-11-17-10-9-16(2)3/h4-8H,1,9-13H2,2-3H3
InChIKeyBGEXAROTOIRBLU-UHFFFAOYSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
2-[(4-ethenylphenyl)methoxy]ethyl-dimethoxysilane
CID 154323756
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89264123
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine (CID 58592129) is 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine is C=Cc1ccc(COCCOCCN(C)C)cc1.
What is the InChIKey of 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
The InChIKey is BGEXAROTOIRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-14-5-7-15(8-6-14)13-18-12-11-17-10-9-16(2)3/h4-8H,1,9-13H2,2-3H3.
What are the key properties of 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 58592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).