1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine

C15H23NO2 — CID 105163057

IUPAC1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cccc(OC)c1OC
InChIInChI=1S/C15H23NO2/c1-6-16-13(10-11(2)3)12-8-7-9-14(17-4)15(12)18-5/h7-9,13,16H,2,6,10H2,1,3-5H3
InChIKeyJSLAXDCHXHDUJN-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.32
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine

1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine (PubChem CID 105163057) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
PubChem CID105163057
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cccc(OC)c1OC
InChIInChI=1S/C15H23NO2/c1-6-16-13(10-11(2)3)12-8-7-9-14(17-4)15(12)18-5/h7-9,13,16H,2,6,10H2,1,3-5H3
InChIKeyJSLAXDCHXHDUJN-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
ethyl 3-(2,3-dimethoxyphenyl)-3-(propylamino)propanoate
CID 65235512
1-(2,3-dimethoxyphenyl)-N-ethyl-2,2-difluoroethanamine
CID 80605401
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
CID 105139259
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine (CID 105163057) is 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine is C=C(C)CC(NCC)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine?
The InChIKey is JSLAXDCHXHDUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-16-13(10-11(2)3)12-8-7-9-14(17-4)15(12)18-5/h7-9,13,16H,2,6,10H2,1,3-5H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine?
1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-1-amine is sourced from PubChem (CID 105163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).