N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine

C16H25NO2 — CID 2183688

IUPACN,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
SMILESC=CCc1cc(C)ccc1OCCOCCN(C)C
InChIInChI=1S/C16H25NO2/c1-5-6-15-13-14(2)7-8-16(15)19-12-11-18-10-9-17(3)4/h5,7-8,13H,1,6,9-12H2,2-4H3
InChIKeyIAPCDUWWXIJKST-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds9

About N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine

N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine (PubChem CID 2183688) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
PubChem CID2183688
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
SMILESC=CCc1cc(C)ccc1OCCOCCN(C)C
InChIInChI=1S/C16H25NO2/c1-5-6-15-13-14(2)7-8-16(15)19-12-11-18-10-9-17(3)4/h5,7-8,13H,1,6,9-12H2,2-4H3
InChIKeyIAPCDUWWXIJKST-UHFFFAOYSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2298077
dimethyl-[2-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethylazaniumyl]ethyl]azanium
CID 7472915
(2R,6S)-2,6-dimethyl-4-[2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2182900
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
CID 2935417
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
CID 2297543
1-methyl-4-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]piperazine-1,4-diium
CID 2299280
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
N-(3-methoxypropyl)-4-(4-methyl-2-prop-2-enylphenoxy)butan-1-amine
CID 2581626
N,N-dimethyl-3-(5-methyl-2-propoxyphenyl)propan-1-amine
CID 170866592
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine (CID 2183688) is N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine is C=CCc1cc(C)ccc1OCCOCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
The InChIKey is IAPCDUWWXIJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-6-15-13-14(2)7-8-16(15)19-12-11-18-10-9-17(3)4/h5,7-8,13H,1,6,9-12H2,2-4H3.
What are the key properties of N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine is sourced from PubChem (CID 2183688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).