4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine

C16H18N2O2 — CID 86013631

IUPAC4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine
SMILESCOc1ccc(C=Cc2ccc(N)cc2N)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-8-4-11(9-16(15)20-2)3-5-12-6-7-13(17)10-14(12)18/h3-10H,17-18H2,1-2H3
InChIKeyKLILLYUMRQVNNU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds4

About 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine

4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine (PubChem CID 86013631) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine
PubChem CID86013631
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine
SMILESCOc1ccc(C=Cc2ccc(N)cc2N)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-8-4-11(9-16(15)20-2)3-5-12-6-7-13(17)10-14(12)18/h3-10H,17-18H2,1-2H3
InChIKeyKLILLYUMRQVNNU-UHFFFAOYSA-N
XLogP3.04
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-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

2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
CID 71418980
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]aniline;propane
CID 90729322
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-methoxybenzonitrile
CID 67803258
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
2-methoxy-5-prop-1-enylaniline
CID 853489
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine (CID 86013631) is 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine is COc1ccc(C=Cc2ccc(N)cc2N)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine?
The InChIKey is KLILLYUMRQVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-8-4-11(9-16(15)20-2)3-5-12-6-7-13(17)10-14(12)18/h3-10H,17-18H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine?
4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine has a molecular weight of 270.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diamine is sourced from PubChem (CID 86013631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).