4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline

C25H24N2O2 — CID 71764616

IUPAC4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
SMILESCOc1cc(/C=C/c2ccc(NCc3c[nH]c4ccccc34)cc2)cc(OC)c1
InChIInChI=1S/C25H24N2O2/c1-28-22-13-19(14-23(15-22)29-2)8-7-18-9-11-21(12-10-18)26-16-20-17-27-25-6-4-3-5-24(20)25/h3-15,17,26-27H,16H2,1-2H3/b8-7+
InChIKeyJZWCLQHHZNJTKV-BQYQJAHWSA-N
MW384.48 g/mol
LogP5.97
Rot. Bonds7

About 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline (PubChem CID 71764616) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
PubChem CID71764616
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
SMILESCOc1cc(/C=C/c2ccc(NCc3c[nH]c4ccccc34)cc2)cc(OC)c1
InChIInChI=1S/C25H24N2O2/c1-28-22-13-19(14-23(15-22)29-2)8-7-18-9-11-21(12-10-18)26-16-20-17-27-25-6-4-3-5-24(20)25/h3-15,17,26-27H,16H2,1-2H3/b8-7+
InChIKeyJZWCLQHHZNJTKV-BQYQJAHWSA-N
XLogP5.97
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
CID 114838759
N-(1H-indol-3-ylmethyl)-4-propoxyaniline
CID 62327281
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
N-[(5-bromo-1H-indol-3-yl)methyl]-4-methoxyaniline
CID 20509762
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
2-[4-(1H-indol-3-ylmethylamino)phenyl]acetonitrile
CID 60681635
4-(difluoromethylsulfanyl)-N-(1H-indol-3-ylmethyl)aniline
CID 60678344
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline?
The IUPAC name of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline (CID 71764616) is 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline.
What is the SMILES notation for 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline?
The canonical SMILES for 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline is COc1cc(/C=C/c2ccc(NCc3c[nH]c4ccccc34)cc2)cc(OC)c1.
What is the InChIKey of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline?
The InChIKey is JZWCLQHHZNJTKV-BQYQJAHWSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-28-22-13-19(14-23(15-22)29-2)8-7-18-9-11-21(12-10-18)26-16-20-17-27-25-6-4-3-5-24(20)25/h3-15,17,26-27H,16H2,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline?
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline has a molecular weight of 384.48 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline is sourced from PubChem (CID 71764616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).