2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol

C12H19NO4 — CID 3614509

IUPAC2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
SMILESCOCCNCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-15-5-4-13-8-9-6-10(16-2)12(14)11(7-9)17-3/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyFCPWTEKXVZJRKK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.15
Rot. Bonds7

About 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol

2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol (PubChem CID 3614509) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
PubChem CID3614509
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
SMILESCOCCNCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-15-5-4-13-8-9-6-10(16-2)12(14)11(7-9)17-3/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyFCPWTEKXVZJRKK-UHFFFAOYSA-N
XLogP1.15
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 114466035
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115671182
2-[2-bromo-6-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 55218721
N-[[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062852
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
CID 83002999
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol (CID 3614509) is 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol is COCCNCc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol?
The InChIKey is FCPWTEKXVZJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-5-4-13-8-9-6-10(16-2)12(14)11(7-9)17-3/h6-7,13-14H,4-5,8H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol?
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol has a molecular weight of 241.29 g/mol, XLogP of 1.15, 7 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-methoxyethylamino)methyl]phenol is sourced from PubChem (CID 3614509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).