4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline

C22H21NO — CID 122467021

IUPAC4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
SMILESCOc1ccc(/C(=C/c2ccc(N)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO/c1-16-3-7-18(8-4-16)22(15-17-5-11-20(23)12-6-17)19-9-13-21(24-2)14-10-19/h3-15H,23H2,1-2H3/b22-15+
InChIKeySASPYYHMJGVENK-PXLXIMEGSA-N
MW315.42 g/mol
LogP5.17
Rot. Bonds4

About 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline

4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline (PubChem CID 122467021) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
PubChem CID122467021
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
SMILESCOc1ccc(/C(=C/c2ccc(N)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO/c1-16-3-7-18(8-4-16)22(15-17-5-11-20(23)12-6-17)19-9-13-21(24-2)14-10-19/h3-15H,23H2,1-2H3/b22-15+
InChIKeySASPYYHMJGVENK-PXLXIMEGSA-N
XLogP5.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
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

N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
[4-[2-[4-[N-(4-methoxyphenyl)-4-(sulfanylmethyl)anilino]phenyl]-1-(4-methylphenyl)ethenyl]phenyl]methanethiol
CID 73461398
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58991857
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717
[4-[(E)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582109
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
[4-[(E)-2-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]-1-(4-methoxyphenyl)ethenyl]phenyl] 2-oxopropyl carbonate
CID 20582106

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline (CID 122467021) is 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline is COc1ccc(/C(=C/c2ccc(N)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline?
The InChIKey is SASPYYHMJGVENK-PXLXIMEGSA-N. The full InChI is InChI=1S/C22H21NO/c1-16-3-7-18(8-4-16)22(15-17-5-11-20(23)12-6-17)19-9-13-21(24-2)14-10-19/h3-15H,23H2,1-2H3/b22-15+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline?
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline has a molecular weight of 315.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 122467021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).