2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline

C18H18N2O — CID 25050478

IUPAC2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline
SMILESCOc1ccc(/C=C\c2ccc3c(ccn3C)c2)cc1N
InChIInChI=1S/C18H18N2O/c1-20-10-9-15-11-13(5-7-17(15)20)3-4-14-6-8-18(21-2)16(19)12-14/h3-12H,19H2,1-2H3/b4-3-
InChIKeyZWMKGJDGBDMRIE-ARJAWSKDSA-N
MW278.36 g/mol
LogP3.94
Rot. Bonds3

About 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline

2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline (PubChem CID 25050478) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline
PubChem CID25050478
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline
SMILESCOc1ccc(/C=C\c2ccc3c(ccn3C)c2)cc1N
InChIInChI=1S/C18H18N2O/c1-20-10-9-15-11-13(5-7-17(15)20)3-4-14-6-8-18(21-2)16(19)12-14/h3-12H,19H2,1-2H3/b4-3-
InChIKeyZWMKGJDGBDMRIE-ARJAWSKDSA-N
XLogP3.94
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline?
The IUPAC name of 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline (CID 25050478) is 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline.
What is the SMILES notation for 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline?
The canonical SMILES for 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline is COc1ccc(/C=C\c2ccc3c(ccn3C)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline?
The InChIKey is ZWMKGJDGBDMRIE-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20-10-9-15-11-13(5-7-17(15)20)3-4-14-6-8-18(21-2)16(19)12-14/h3-12H,19H2,1-2H3/b4-3-.
What are the key properties of 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline?
2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline has a molecular weight of 278.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline is sourced from PubChem (CID 25050478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).