4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline

C22H28N2O — CID 143745989

IUPAC4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCOC1(/C=C/c2ccc(N(C)C)cc2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H28N2O/c1-21(2)19-9-7-8-10-20(19)24(5)22(21,25-6)16-15-17-11-13-18(14-12-17)23(3)4/h7-16H,1-6H3/b16-15+
InChIKeyGDIRSBAPYRZAPP-FOCLMDBBSA-N
MW336.48 g/mol
LogP4.54
Rot. Bonds4

About 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 143745989) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID143745989
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCOC1(/C=C/c2ccc(N(C)C)cc2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H28N2O/c1-21(2)19-9-7-8-10-20(19)24(5)22(21,25-6)16-15-17-11-13-18(14-12-17)23(3)4/h7-16H,1-6H3/b16-15+
InChIKeyGDIRSBAPYRZAPP-FOCLMDBBSA-N
XLogP4.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 54569448
4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline
CID 14245910
(4R,10aR)-10a-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-4,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 98472174
4-[(E)-2-(4-methoxy-6,6-dimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazin-5a-yl)ethenyl]-N,N-dimethylaniline
CID 164669003
N,N-dimethyl-4-[(E)-2-(1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]-6-yl)ethenyl]aniline
CID 16750875
N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide
CID 20710287
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[4-(dimethylamino)phenyl]-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 53420222
2-methoxy-1,3,3-trimethyl-2-[(E)-2-[(3E)-2-phenylsulfanyl-3-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]ethenyl]indole
CID 59832477
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 68568181
N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline
CID 154529819

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline (CID 143745989) is 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline is COC1(/C=C/c2ccc(N(C)C)cc2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is GDIRSBAPYRZAPP-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H28N2O/c1-21(2)19-9-7-8-10-20(19)24(5)22(21,25-6)16-15-17-11-13-18(14-12-17)23(3)4/h7-16H,1-6H3/b16-15+.
What are the key properties of 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 336.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 143745989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).