N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline

C23H22ClNO — CID 102195281

IUPACN-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline
SMILESCCN(/C(=C/c1ccc(Cl)cc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C23H22ClNO/c1-3-25(21-13-15-22(26-2)16-14-21)23(19-7-5-4-6-8-19)17-18-9-11-20(24)12-10-18/h4-17H,3H2,1-2H3/b23-17+
InChIKeyQZJOUOSGVWWRKG-HAVVHWLPSA-N
MW363.89 g/mol
LogP6.37
Rot. Bonds6

About N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline

N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline (PubChem CID 102195281) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline.

Molecular Properties

Compound NameN-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline
PubChem CID102195281
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC NameN-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline
SMILESCCN(/C(=C/c1ccc(Cl)cc1)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C23H22ClNO/c1-3-25(21-13-15-22(26-2)16-14-21)23(19-7-5-4-6-8-19)17-18-9-11-20(24)12-10-18/h4-17H,3H2,1-2H3/b23-17+
InChIKeyQZJOUOSGVWWRKG-HAVVHWLPSA-N
XLogP6.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
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
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
N-[2,2-bis(4-chlorophenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517949
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
anisole;1,4-dichlorobenzene
CID 175517246
N,N-dimethoxy-1,2-diphenylethenamine
CID 90818413

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline?
The IUPAC name of N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline (CID 102195281) is N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline.
What is the SMILES notation for N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline?
The canonical SMILES for N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline is CCN(/C(=C/c1ccc(Cl)cc1)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline?
The InChIKey is QZJOUOSGVWWRKG-HAVVHWLPSA-N. The full InChI is InChI=1S/C23H22ClNO/c1-3-25(21-13-15-22(26-2)16-14-21)23(19-7-5-4-6-8-19)17-18-9-11-20(24)12-10-18/h4-17H,3H2,1-2H3/b23-17+.
What are the key properties of N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline?
N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline has a molecular weight of 363.89 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N-ethyl-4-methoxyaniline is sourced from PubChem (CID 102195281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).