4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline

C18H20N2O — CID 102311282

IUPAC4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
SMILESCOc1ccc(/N=C/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-20(2)17-10-6-15(7-11-17)5-4-14-19-16-8-12-18(21-3)13-9-16/h4-14H,1-3H3/b5-4+,19-14+
InChIKeyDYFXHANVVXCFHJ-FGACYFSBSA-N
MW280.37 g/mol
LogP4.18
Rot. Bonds5

About 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline

4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline (PubChem CID 102311282) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
PubChem CID102311282
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
SMILESCOc1ccc(/N=C/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-20(2)17-10-6-15(7-11-17)5-4-14-19-16-8-12-18(21-3)13-9-16/h4-14H,1-3H3/b5-4+,19-14+
InChIKeyDYFXHANVVXCFHJ-FGACYFSBSA-N
XLogP4.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
ethyl 4-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]benzoate
CID 102311285
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
CID 14494147
4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
CID 50855638
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline (CID 102311282) is 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline is COc1ccc(/N=C/C=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline?
The InChIKey is DYFXHANVVXCFHJ-FGACYFSBSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)17-10-6-15(7-11-17)5-4-14-19-16-8-12-18(21-3)13-9-16/h4-14H,1-3H3/b5-4+,19-14+.
What are the key properties of 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline?
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline has a molecular weight of 280.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 102311282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).