4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine

C15H23NO2 — CID 79597937

IUPAC4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
SMILESCCNCCC=C(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-16-10-6-7-12(2)13-8-9-14(17-3)15(11-13)18-4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyUQEZVCFQECZSPG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine

4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine (PubChem CID 79597937) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
PubChem CID79597937
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
SMILESCCNCCC=C(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-16-10-6-7-12(2)13-8-9-14(17-3)15(11-13)18-4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyUQEZVCFQECZSPG-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-methoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79699951
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099
(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
CID 114666313
(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone
CID 139666648
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940638
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine (CID 79597937) is 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine is CCNCCC=C(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine?
The InChIKey is UQEZVCFQECZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16-10-6-7-12(2)13-8-9-14(17-3)15(11-13)18-4/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine?
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine is sourced from PubChem (CID 79597937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).