N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline

C23H23NO — CID 20813152

IUPACN-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline
SMILESCOc1cccc(/C=C/c2ccc(Nc3ccc(C)cc3C)cc2)c1
InChIInChI=1S/C23H23NO/c1-17-7-14-23(18(2)15-17)24-21-12-10-19(11-13-21)8-9-20-5-4-6-22(16-20)25-3/h4-16,24H,1-3H3/b9-8+
InChIKeyCQQQHCFWKDELNY-CMDGGOBGSA-N
MW329.44 g/mol
LogP6.23
Rot. Bonds5

About N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline

N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline (PubChem CID 20813152) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline
PubChem CID20813152
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline
SMILESCOc1cccc(/C=C/c2ccc(Nc3ccc(C)cc3C)cc2)c1
InChIInChI=1S/C23H23NO/c1-17-7-14-23(18(2)15-17)24-21-12-10-19(11-13-21)8-9-20-5-4-6-22(16-20)25-3/h4-16,24H,1-3H3/b9-8+
InChIKeyCQQQHCFWKDELNY-CMDGGOBGSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-2-(2,3-dimethylphenyl)ethenyl]phenyl]-2,4-dimethylaniline
CID 20813134
2-N-(2,4-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10520798
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
CID 67605326
4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
CID 101290973
N-[2-[4-[2-(3-methoxyphenyl)ethenyl]phenyl]butan-2-yl]-2,4,6-trimethylaniline
CID 122484922
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline?
The IUPAC name of N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline (CID 20813152) is N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline?
The canonical SMILES for N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline is COc1cccc(/C=C/c2ccc(Nc3ccc(C)cc3C)cc2)c1.
What is the InChIKey of N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline?
The InChIKey is CQQQHCFWKDELNY-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H23NO/c1-17-7-14-23(18(2)15-17)24-21-12-10-19(11-13-21)8-9-20-5-4-6-22(16-20)25-3/h4-16,24H,1-3H3/b9-8+.
What are the key properties of N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline?
N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline has a molecular weight of 329.44 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline is sourced from PubChem (CID 20813152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).