2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol

C12H19NO3 — CID 11845008

IUPAC2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
SMILESCc1cc(N)cc(C)c1OCCOCCO
InChIInChI=1S/C12H19NO3/c1-9-7-11(13)8-10(2)12(9)16-6-5-15-4-3-14/h7-8,14H,3-6,13H2,1-2H3
InChIKeyQDWBIFSSXGDOQJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol

2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol (PubChem CID 11845008) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
PubChem CID11845008
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
SMILESCc1cc(N)cc(C)c1OCCOCCO
InChIInChI=1S/C12H19NO3/c1-9-7-11(13)8-10(2)12(9)16-6-5-15-4-3-14/h7-8,14H,3-6,13H2,1-2H3
InChIKeyQDWBIFSSXGDOQJ-UHFFFAOYSA-N
XLogP1.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 61071247
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline
CID 103032538
7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one
CID 25146352
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
CID 79887012
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol (CID 11845008) is 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol is Cc1cc(N)cc(C)c1OCCOCCO.
What is the InChIKey of 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol?
The InChIKey is QDWBIFSSXGDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-7-11(13)8-10(2)12(9)16-6-5-15-4-3-14/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol?
2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 11845008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).