2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline

C22H18Cl2N2 — CID 70478273

IUPAC2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
SMILESNc1ccccc1/C=C/c1cc(Cl)c(/C=C/c2ccccc2N)cc1Cl
InChIInChI=1S/C22H18Cl2N2/c23-19-14-18(12-10-16-6-2-4-8-22(16)26)20(24)13-17(19)11-9-15-5-1-3-7-21(15)25/h1-14H,25-26H2/b11-9+,12-10+
InChIKeyCWDRBYFOYLYAPG-WGDLNXRISA-N
MW381.31 g/mol
LogP6.50
Rot. Bonds4

About 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline

2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline (PubChem CID 70478273) has the molecular formula C22H18Cl2N2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
PubChem CID70478273
Molecular FormulaC22H18Cl2N2
Molecular Weight381.31 g/mol
Exact Mass380.08
IUPAC Name2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
SMILESNc1ccccc1/C=C/c1cc(Cl)c(/C=C/c2ccccc2N)cc1Cl
InChIInChI=1S/C22H18Cl2N2/c23-19-14-18(12-10-16-6-2-4-8-22(16)26)20(24)13-17(19)11-9-15-5-1-3-7-21(15)25/h1-14H,25-26H2/b11-9+,12-10+
InChIKeyCWDRBYFOYLYAPG-WGDLNXRISA-N
XLogP6.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
CID 88516542
2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline
CID 154221003
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
2-(3-aminoprop-1-enyl)aniline
CID 67152713
2-[(1E)-buta-1,3-dienyl]aniline
CID 12715427
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(2-aminophenyl)methylidenetungsten
CID 20722813
3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine
CID 70561484
(E)-2-(2-aminophenyl)ethenesulfonamide
CID 95562297

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline (CID 70478273) is 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline is Nc1ccccc1/C=C/c1cc(Cl)c(/C=C/c2ccccc2N)cc1Cl.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline?
The InChIKey is CWDRBYFOYLYAPG-WGDLNXRISA-N. The full InChI is InChI=1S/C22H18Cl2N2/c23-19-14-18(12-10-16-6-2-4-8-22(16)26)20(24)13-17(19)11-9-15-5-1-3-7-21(15)25/h1-14H,25-26H2/b11-9+,12-10+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline?
2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline has a molecular weight of 381.31 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline is sourced from PubChem (CID 70478273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).