2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol

C13H21NO4 — CID 63058855

IUPAC2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
SMILESCOCCNCc1ccc(OC)cc1OCCO
InChIInChI=1S/C13H21NO4/c1-16-7-5-14-10-11-3-4-12(17-2)9-13(11)18-8-6-15/h3-4,9,14-15H,5-8,10H2,1-2H3
InChIKeyDDYVPFYISLCRMF-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.80
Rot. Bonds9

About 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol

2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol (PubChem CID 63058855) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
PubChem CID63058855
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
SMILESCOCCNCc1ccc(OC)cc1OCCO
InChIInChI=1S/C13H21NO4/c1-16-7-5-14-10-11-3-4-12(17-2)9-13(11)18-8-6-15/h3-4,9,14-15H,5-8,10H2,1-2H3
InChIKeyDDYVPFYISLCRMF-UHFFFAOYSA-N
XLogP0.80
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.80
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

N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
N-[[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63059033
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63060100
5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63058679
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol (CID 63058855) is 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol is COCCNCc1ccc(OC)cc1OCCO.
What is the InChIKey of 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
The InChIKey is DDYVPFYISLCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-7-5-14-10-11-3-4-12(17-2)9-13(11)18-8-6-15/h3-4,9,14-15H,5-8,10H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol has a molecular weight of 255.31 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 63058855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).