2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

C16H25NO4 — CID 115699243

IUPAC2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESC=C(C)COCCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H25NO4/c1-12(2)11-21-7-6-17-10-14-15(19-4)8-13(18-3)9-16(14)20-5/h8-9,17H,1,6-7,10-11H2,2-5H3
InChIKeyLFTMCDMGPUHWSN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.39
Rot. Bonds10

About 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (PubChem CID 115699243) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
PubChem CID115699243
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESC=C(C)COCCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H25NO4/c1-12(2)11-21-7-6-17-10-14-15(19-4)8-13(18-3)9-16(14)20-5/h8-9,17H,1,6-7,10-11H2,2-5H3
InChIKeyLFTMCDMGPUHWSN-UHFFFAOYSA-N
XLogP2.39
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene
CID 10848413
2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 114466035
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 102876689
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115897877
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 43551672

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (CID 115699243) is 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is C=C(C)COCCNCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is LFTMCDMGPUHWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)11-21-7-6-17-10-14-15(19-4)8-13(18-3)9-16(14)20-5/h8-9,17H,1,6-7,10-11H2,2-5H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115699243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).