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

C18H29NO2 — CID 2298077

IUPACN,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
SMILESC=CCc1cc(C)ccc1OCCOCCN(CC)CC
InChIInChI=1S/C18H29NO2/c1-5-8-17-15-16(4)9-10-18(17)21-14-13-20-12-11-19(6-2)7-3/h5,9-10,15H,1,6-8,11-14H2,2-4H3
InChIKeyHQFZYLVSWPKDLP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.46
Rot. Bonds11

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

N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine (PubChem CID 2298077) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
PubChem CID2298077
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
SMILESC=CCc1cc(C)ccc1OCCOCCN(CC)CC
InChIInChI=1S/C18H29NO2/c1-5-8-17-15-16(4)9-10-18(17)21-14-13-20-12-11-19(6-2)7-3/h5,9-10,15H,1,6-8,11-14H2,2-4H3
InChIKeyHQFZYLVSWPKDLP-UHFFFAOYSA-N
XLogP3.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.46
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'}

Analyze N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
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
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
CID 31196232
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
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-chloroethoxy)-N-[(2,5-dimethylphenyl)methyl]-N-ethylethanamine
CID 114263776
N-(3-methoxypropyl)-4-(4-methyl-2-prop-2-enylphenoxy)butan-1-amine
CID 2581626
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
CID 59873231

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine (CID 2298077) is N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine is C=CCc1cc(C)ccc1OCCOCCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
The InChIKey is HQFZYLVSWPKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-8-17-15-16(4)9-10-18(17)21-14-13-20-12-11-19(6-2)7-3/h5,9-10,15H,1,6-8,11-14H2,2-4H3.
What are the key properties of N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine?
N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine is sourced from PubChem (CID 2298077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).