(Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine

C17H29NO3Si — CID 90054588

IUPAC(Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine
SMILESCOc1ccc(OCCNC/C=C\C[Si](C)(C)C)cc1OC
InChIInChI=1S/C17H29NO3Si/c1-19-16-9-8-15(14-17(16)20-2)21-12-11-18-10-6-7-13-22(3,4)5/h6-9,14,18H,10-13H2,1-5H3/b7-6-
InChIKeyFDHFUVNXIYVGGC-SREVYHEPSA-N
MW323.51 g/mol
LogP3.57
Rot. Bonds10

About (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine

(Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine (PubChem CID 90054588) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine
PubChem CID90054588
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Name(Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine
SMILESCOc1ccc(OCCNC/C=C\C[Si](C)(C)C)cc1OC
InChIInChI=1S/C17H29NO3Si/c1-19-16-9-8-15(14-17(16)20-2)21-12-11-18-10-6-7-13-22(3,4)5/h6-9,14,18H,10-13H2,1-5H3/b7-6-
InChIKeyFDHFUVNXIYVGGC-SREVYHEPSA-N
XLogP3.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethenoxyethoxy)-1,2-dimethoxybenzene
CID 20722042
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride
CID 117068489
2-(2,4-dimethoxyphenoxy)ethylhydrazine
CID 3053305
2-(2,5-dimethoxyphenoxy)ethylhydrazine;hydrochloride
CID 3053306
2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline
CID 146622840
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 14053540
N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine
CID 103604210
(4-ethoxy-2-methoxyphenyl) formate
CID 54118275
2-[4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]phenoxy]ethanol;hydrochloride
CID 17213243
N-(2-methoxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-amine
CID 79341174
tris(3,4-dimethoxyphenyl) borate
CID 67306182

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine?
The IUPAC name of (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine (CID 90054588) is (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine.
What is the SMILES notation for (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine?
The canonical SMILES for (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine is COc1ccc(OCCNC/C=C\C[Si](C)(C)C)cc1OC.
What is the InChIKey of (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine?
The InChIKey is FDHFUVNXIYVGGC-SREVYHEPSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-19-16-9-8-15(14-17(16)20-2)21-12-11-18-10-6-7-13-22(3,4)5/h6-9,14,18H,10-13H2,1-5H3/b7-6-.
What are the key properties of (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine?
(Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine has a molecular weight of 323.51 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(3,4-dimethoxyphenoxy)ethyl]-4-trimethylsilylbut-2-en-1-amine is sourced from PubChem (CID 90054588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).