2,3-bis[(E)-2-phenylethenyl]aniline

C22H19N — CID 22251468

IUPAC2,3-bis[(E)-2-phenylethenyl]aniline
SMILESNc1cccc(/C=C/c2ccccc2)c1/C=C/c1ccccc1
InChIInChI=1S/C22H19N/c23-22-13-7-12-20(16-14-18-8-3-1-4-9-18)21(22)17-15-19-10-5-2-6-11-19/h1-17H,23H2/b16-14+,17-15+
InChIKeyCZVSKSMSWROKEX-YXLFCKQPSA-N
MW297.40 g/mol
LogP5.61
Rot. Bonds4

About 2,3-bis[(E)-2-phenylethenyl]aniline

2,3-bis[(E)-2-phenylethenyl]aniline (PubChem CID 22251468) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,3-bis[(E)-2-phenylethenyl]aniline.

Molecular Properties

Compound Name2,3-bis[(E)-2-phenylethenyl]aniline
PubChem CID22251468
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2,3-bis[(E)-2-phenylethenyl]aniline
SMILESNc1cccc(/C=C/c2ccccc2)c1/C=C/c1ccccc1
InChIInChI=1S/C22H19N/c23-22-13-7-12-20(16-14-18-8-3-1-4-9-18)21(22)17-15-19-10-5-2-6-11-19/h1-17H,23H2/b16-14+,17-15+
InChIKeyCZVSKSMSWROKEX-YXLFCKQPSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-3-(2-phenylethenyl)aniline
CID 67709956
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999
1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine
CID 173097180
4-[(Z)-2-phenylethenyl]-2-[(E)-2-phenylethenyl]benzene-1,3,5-triamine
CID 51521223
methylcyclohexane;2-(2-phenylethenyl)benzene-1,3-diamine
CID 159997782
3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
CID 174558761
3-(2-phenylethenyl)benzene-1,2-diamine;propane-1-thiol
CID 161183014
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
4-(4-aminophenyl)-2,3-bis(2-phenylethenyl)aniline
CID 66757843
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-phenylethenyl]aniline?
The IUPAC name of 2,3-bis[(E)-2-phenylethenyl]aniline (CID 22251468) is 2,3-bis[(E)-2-phenylethenyl]aniline.
What is the SMILES notation for 2,3-bis[(E)-2-phenylethenyl]aniline?
The canonical SMILES for 2,3-bis[(E)-2-phenylethenyl]aniline is Nc1cccc(/C=C/c2ccccc2)c1/C=C/c1ccccc1.
What is the InChIKey of 2,3-bis[(E)-2-phenylethenyl]aniline?
The InChIKey is CZVSKSMSWROKEX-YXLFCKQPSA-N. The full InChI is InChI=1S/C22H19N/c23-22-13-7-12-20(16-14-18-8-3-1-4-9-18)21(22)17-15-19-10-5-2-6-11-19/h1-17H,23H2/b16-14+,17-15+.
What are the key properties of 2,3-bis[(E)-2-phenylethenyl]aniline?
2,3-bis[(E)-2-phenylethenyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-phenylethenyl]aniline is sourced from PubChem (CID 22251468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).