4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline

C29H34N2 — CID 121386942

IUPAC4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline
SMILESC=C(c1ccc(N(C)CC)cc1)c1cccc(C(=C)c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C29H34N2/c1-7-30(6)28-17-13-24(14-18-28)22(4)26-11-10-12-27(21-26)23(5)25-15-19-29(20-16-25)31(8-2)9-3/h10-21H,4-5,7-9H2,1-3,6H3
InChIKeyCRDBBOZIEILKFR-UHFFFAOYSA-N
MW410.61 g/mol
LogP7.11
Rot. Bonds9

About 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline

4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline (PubChem CID 121386942) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline.

Molecular Properties

Compound Name4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline
PubChem CID121386942
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline
SMILESC=C(c1ccc(N(C)CC)cc1)c1cccc(C(=C)c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C29H34N2/c1-7-30(6)28-17-13-24(14-18-28)22(4)26-11-10-12-27(21-26)23(5)25-15-19-29(20-16-25)31(8-2)9-3/h10-21H,4-5,7-9H2,1-3,6H3
InChIKeyCRDBBOZIEILKFR-UHFFFAOYSA-N
XLogP7.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminoethenyl)-N,N-diethylaniline
CID 146581099
N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
CID 23526005
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline
CID 142916873
4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935157
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
CID 2832387
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 141404078
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
4-[2-[3-[2-[4-(diethylamino)phenyl]heptan-2-yl]phenyl]heptan-2-yl]-N-ethyl-N-methylaniline
CID 121386959

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline?
The IUPAC name of 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline (CID 121386942) is 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline.
What is the SMILES notation for 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline?
The canonical SMILES for 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline is C=C(c1ccc(N(C)CC)cc1)c1cccc(C(=C)c2ccc(N(CC)CC)cc2)c1.
What is the InChIKey of 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline?
The InChIKey is CRDBBOZIEILKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2/c1-7-30(6)28-17-13-24(14-18-28)22(4)26-11-10-12-27(21-26)23(5)25-15-19-29(20-16-25)31(8-2)9-3/h10-21H,4-5,7-9H2,1-3,6H3.
What are the key properties of 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline?
4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline has a molecular weight of 410.61 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline is sourced from PubChem (CID 121386942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).