3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine

C12H18N2O2 — CID 143973697

IUPAC3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESC=Cc1c(OC)c(OC)cc(N)c1N(C)C
InChIInChI=1S/C12H18N2O2/c1-6-8-11(14(2)3)9(13)7-10(15-4)12(8)16-5/h6-7H,1,13H2,2-5H3
InChIKeyBOQRSKHSYKRTAK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.00
Rot. Bonds4

About 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine

3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 143973697) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID143973697
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESC=Cc1c(OC)c(OC)cc(N)c1N(C)C
InChIInChI=1S/C12H18N2O2/c1-6-8-11(14(2)3)9(13)7-10(15-4)12(8)16-5/h6-7H,1,13H2,2-5H3
InChIKeyBOQRSKHSYKRTAK-UHFFFAOYSA-N
XLogP2.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine 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

5-ethenyl-2,3-dimethoxyaniline
CID 14166975
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
1-[4-(dimethylamino)-3,5-dimethoxyphenyl]-2-methylsulfonylethanol
CID 54074851
2,3,5,6-tetramethoxyaniline
CID 19093015
2-[amino(methyl)amino]-5-bromo-3-methoxyaniline
CID 144867461
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
CID 69381099
4,5-dimethoxy-2-(3,4,5-trimethoxyphenyl)aniline
CID 89207272

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine (CID 143973697) is 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine is C=Cc1c(OC)c(OC)cc(N)c1N(C)C.
What is the InChIKey of 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is BOQRSKHSYKRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6-8-11(14(2)3)9(13)7-10(15-4)12(8)16-5/h6-7H,1,13H2,2-5H3.
What are the key properties of 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine?
3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 143973697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).