4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol

C13H21NO5 — CID 28727979

IUPAC4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCCOCCO)cc(OC)c1O
InChIInChI=1S/C13H21NO5/c1-17-11-7-10(8-12(18-2)13(11)16)9-14-3-5-19-6-4-15/h7-8,14-16H,3-6,9H2,1-2H3
InChIKeyAOYULWLBKHXFIN-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.51
Rot. Bonds9

About 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol

4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol (PubChem CID 28727979) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
PubChem CID28727979
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCCOCCO)cc(OC)c1O
InChIInChI=1S/C13H21NO5/c1-17-11-7-10(8-12(18-2)13(11)16)9-14-3-5-19-6-4-15/h7-8,14-16H,3-6,9H2,1-2H3
InChIKeyAOYULWLBKHXFIN-UHFFFAOYSA-N
XLogP0.51
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 114466035
2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155495
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155273
2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 17155162
N'-hydroxy-5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxybenzenecarboximidamide
CID 77065968
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115671182

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol (CID 28727979) is 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol is COc1cc(CNCCOCCO)cc(OC)c1O.
What is the InChIKey of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol?
The InChIKey is AOYULWLBKHXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-17-11-7-10(8-12(18-2)13(11)16)9-14-3-5-19-6-4-15/h7-8,14-16H,3-6,9H2,1-2H3.
What are the key properties of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol?
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol has a molecular weight of 271.31 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 28727979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).