2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol

C15H25NO4 — CID 79548207

IUPAC2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
SMILESCCOC(CNC(C)c1cc(OC)ccc1O)OCC
InChIInChI=1S/C15H25NO4/c1-5-19-15(20-6-2)10-16-11(3)13-9-12(18-4)7-8-14(13)17/h7-9,11,15-17H,5-6,10H2,1-4H3
InChIKeyNQELOQHWAQQZOF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.45
Rot. Bonds9

About 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol

2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol (PubChem CID 79548207) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
PubChem CID79548207
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
SMILESCCOC(CNC(C)c1cc(OC)ccc1O)OCC
InChIInChI=1S/C15H25NO4/c1-5-19-15(20-6-2)10-16-11(3)13-9-12(18-4)7-8-14(13)17/h7-9,11,15-17H,5-6,10H2,1-4H3
InChIKeyNQELOQHWAQQZOF-UHFFFAOYSA-N
XLogP2.45
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
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2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615
4-methoxy-2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]phenol
CID 113429395
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol (CID 79548207) is 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol is CCOC(CNC(C)c1cc(OC)ccc1O)OCC.
What is the InChIKey of 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol?
The InChIKey is NQELOQHWAQQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-19-15(20-6-2)10-16-11(3)13-9-12(18-4)7-8-14(13)17/h7-9,11,15-17H,5-6,10H2,1-4H3.
What are the key properties of 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol?
2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 79548207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).