2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol

C14H23NO4 — CID 43220976

IUPAC2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCOc1cccc(CNCCOCCO)c1OC
InChIInChI=1S/C14H23NO4/c1-3-19-13-6-4-5-12(14(13)17-2)11-15-7-9-18-10-8-16/h4-6,15-16H,3,7-11H2,1-2H3
InChIKeyOLVQWAIJOWYHHK-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.19
Rot. Bonds10

About 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol

2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol (PubChem CID 43220976) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
PubChem CID43220976
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCOc1cccc(CNCCOCCO)c1OC
InChIInChI=1S/C14H23NO4/c1-3-19-13-6-4-5-12(14(13)17-2)11-15-7-9-18-10-8-16/h4-6,15-16H,3,7-11H2,1-2H3
InChIKeyOLVQWAIJOWYHHK-UHFFFAOYSA-N
XLogP1.19
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.19
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

2-(2,2-difluoroethoxy)-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 103080982
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62229697
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol (CID 43220976) is 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol is CCOc1cccc(CNCCOCCO)c1OC.
What is the InChIKey of 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol?
The InChIKey is OLVQWAIJOWYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-19-13-6-4-5-12(14(13)17-2)11-15-7-9-18-10-8-16/h4-6,15-16H,3,7-11H2,1-2H3.
What are the key properties of 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol?
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol has a molecular weight of 269.34 g/mol, XLogP of 1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 43220976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).