2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol

C15H23NO4 — CID 114466035

IUPAC2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
SMILESC=C(C)COCCNCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-11(2)10-20-6-5-16-9-12-7-13(18-3)15(17)14(8-12)19-4/h7-8,16-17H,1,5-6,9-10H2,2-4H3
InChIKeyHZOORBVTXLGOSF-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.09
Rot. Bonds9

About 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol

2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol (PubChem CID 114466035) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
PubChem CID114466035
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
SMILESC=C(C)COCCNCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-11(2)10-20-6-5-16-9-12-7-13(18-3)15(17)14(8-12)19-4/h7-8,16-17H,1,5-6,9-10H2,2-4H3
InChIKeyHZOORBVTXLGOSF-UHFFFAOYSA-N
XLogP2.09
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
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

4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
N-[(5-fluoro-3-pyridinyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104953835
N-[(4-iodophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467379
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzene-1,2-diol
CID 113357946
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113258303

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol (CID 114466035) is 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol is C=C(C)COCCNCc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol?
The InChIKey is HZOORBVTXLGOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)10-20-6-5-16-9-12-7-13(18-3)15(17)14(8-12)19-4/h7-8,16-17H,1,5-6,9-10H2,2-4H3.
What are the key properties of 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol?
2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol has a molecular weight of 281.35 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol is sourced from PubChem (CID 114466035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).