2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

C27H34N2OSi — CID 101270620

IUPAC2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESCC/C(=C(/c1ccc(OCCN(C)C)cc1)[Si](C)(C)c1ccccn1)c1ccccc1
InChIInChI=1S/C27H34N2OSi/c1-6-25(22-12-8-7-9-13-22)27(31(4,5)26-14-10-11-19-28-26)23-15-17-24(18-16-23)30-21-20-29(2)3/h7-19H,6,20-21H2,1-5H3/b27-25+
InChIKeySMEWZOYRQXELQK-IMVLJIQESA-N
MW430.67 g/mol
LogP5.50
Rot. Bonds9

About 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 101270620) has the molecular formula C27H34N2OSi and a molecular weight of 430.67 g/mol. Its IUPAC name is 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
PubChem CID101270620
Molecular FormulaC27H34N2OSi
Molecular Weight430.67 g/mol
Exact Mass430.24
IUPAC Name2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
SMILESCC/C(=C(/c1ccc(OCCN(C)C)cc1)[Si](C)(C)c1ccccn1)c1ccccc1
InChIInChI=1S/C27H34N2OSi/c1-6-25(22-12-8-7-9-13-22)27(31(4,5)26-14-10-11-19-28-26)23-15-17-24(18-16-23)30-21-20-29(2)3/h7-19H,6,20-21H2,1-5H3/b27-25+
InChIKeySMEWZOYRQXELQK-IMVLJIQESA-N
XLogP5.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
CID 123937819
CID 123937819
2-[4-[1-(3-bromophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 139774945
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 6263876
N,N-dimethyl-2-[4-[(Z)-1-[4-(oxiran-2-yl)phenyl]-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 14509093
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
N,N-dimethyl-2-[4-[(E)-1-(4-methylsulfinylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 14509105
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]-3-methylphenol
CID 3035644
2-[4-[(Z)-4-bromo-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 13424658

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine (CID 101270620) is 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine is CC/C(=C(/c1ccc(OCCN(C)C)cc1)[Si](C)(C)c1ccccn1)c1ccccc1.
What is the InChIKey of 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is SMEWZOYRQXELQK-IMVLJIQESA-N. The full InChI is InChI=1S/C27H34N2OSi/c1-6-25(22-12-8-7-9-13-22)27(31(4,5)26-14-10-11-19-28-26)23-15-17-24(18-16-23)30-21-20-29(2)3/h7-19H,6,20-21H2,1-5H3/b27-25+.
What are the key properties of 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 430.67 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-1-[dimethyl(pyridin-2-yl)silyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 101270620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).