1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine

C14H21NO2 — CID 79190712

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-6-15-14(10(2)3)11-7-8-12(16-4)13(9-11)17-5/h7-9,14-15H,2,6H2,1,3-5H3
InChIKeyVVDGZNSPPDOOTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine

1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 79190712) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID79190712
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-6-15-14(10(2)3)11-7-8-12(16-4)13(9-11)17-5/h7-9,14-15H,2,6H2,1,3-5H3
InChIKeyVVDGZNSPPDOOTJ-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
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

methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
1-(3-bromo-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005152
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
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CID 62066206
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine (CID 79190712) is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is VVDGZNSPPDOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-15-14(10(2)3)11-7-8-12(16-4)13(9-11)17-5/h7-9,14-15H,2,6H2,1,3-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79190712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).