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

C17H19NO — CID 89046788

IUPAC3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCOc1cccc(/C=C/c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H19NO/c1-18(2)16-8-4-6-14(12-16)10-11-15-7-5-9-17(13-15)19-3/h4-13H,1-3H3/b11-10+
InChIKeyOYONBBLZUIRFKY-ZHACJKMWSA-N
MW253.34 g/mol
LogP3.93
Rot. Bonds4

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

3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 89046788) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
PubChem CID89046788
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCOc1cccc(/C=C/c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H19NO/c1-18(2)16-8-4-6-14(12-16)10-11-15-7-5-9-17(13-15)19-3/h4-13H,1-3H3/b11-10+
InChIKeyOYONBBLZUIRFKY-ZHACJKMWSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.93
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

3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
N,N-dimethyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 102504283
3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
CID 169475509

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline (CID 89046788) is 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline is COc1cccc(/C=C/c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is OYONBBLZUIRFKY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H19NO/c1-18(2)16-8-4-6-14(12-16)10-11-15-7-5-9-17(13-15)19-3/h4-13H,1-3H3/b11-10+.
What are the key properties of 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 253.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 89046788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).