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

C13H19NO2 — CID 79340572

IUPAC3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-10(9-14-2)7-11-5-6-12(15-3)13(8-11)16-4/h5-8,14H,9H2,1-4H3
InChIKeyCHIDWAQNZPFIKQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79340572) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79340572
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-10(9-14-2)7-11-5-6-12(15-3)13(8-11)16-4/h5-8,14H,9H2,1-4H3
InChIKeyCHIDWAQNZPFIKQ-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine 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

1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341614
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340667
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79341026
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,2-dimethylprop-2-en-1-amine
CID 79340671
N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79340779
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
2-methoxy-5-[2-methyl-3-(propan-2-ylamino)prop-1-enyl]benzonitrile
CID 79341030
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (CID 79340572) is 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is CHIDWAQNZPFIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(9-14-2)7-11-5-6-12(15-3)13(8-11)16-4/h5-8,14H,9H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79340572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).