2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine

C18H28N2O2 — CID 14711457

IUPAC2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCO/C=C/c1ccc(/C=C/OCCN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-19(2)11-15-21-13-9-17-5-7-18(8-6-17)10-14-22-16-12-20(3)4/h5-10,13-14H,11-12,15-16H2,1-4H3/b13-9+,14-10+
InChIKeyHODQRDVPGYOQLC-UTLPMFLDSA-N
MW304.43 g/mol
LogP2.78
Rot. Bonds10

About 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine

2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine (PubChem CID 14711457) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine
PubChem CID14711457
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCO/C=C/c1ccc(/C=C/OCCN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-19(2)11-15-21-13-9-17-5-7-18(8-6-17)10-14-22-16-12-20(3)4/h5-10,13-14H,11-12,15-16H2,1-4H3/b13-9+,14-10+
InChIKeyHODQRDVPGYOQLC-UTLPMFLDSA-N
XLogP2.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
3-[4-[3-(dimethylamino)propoxy]phenyl]prop-2-enal
CID 140994442
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol
CID 134275192
tert-butyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
CID 69301263
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
2-[(1Z)-4-ethylhexa-1,3-dienoxy]-N,N-dimethylethanamine
CID 101371542

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine (CID 14711457) is 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine is CN(C)CCO/C=C/c1ccc(/C=C/OCCN(C)C)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine?
The InChIKey is HODQRDVPGYOQLC-UTLPMFLDSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19(2)11-15-21-13-9-17-5-7-18(8-6-17)10-14-22-16-12-20(3)4/h5-10,13-14H,11-12,15-16H2,1-4H3/b13-9+,14-10+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine?
2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 14711457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).