2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol

C11H17NO3 — CID 61069192

IUPAC2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
SMILESCc1cc(OCCOCCO)ccc1N
InChIInChI=1S/C11H17NO3/c1-9-8-10(2-3-11(9)12)15-7-6-14-5-4-13/h2-3,8,13H,4-7,12H2,1H3
InChIKeyHJYYKJOFDMFCMF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds6

About 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol

2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol (PubChem CID 61069192) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
PubChem CID61069192
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
SMILESCc1cc(OCCOCCO)ccc1N
InChIInChI=1S/C11H17NO3/c1-9-8-10(2-3-11(9)12)15-7-6-14-5-4-13/h2-3,8,13H,4-7,12H2,1H3
InChIKeyHJYYKJOFDMFCMF-UHFFFAOYSA-N
XLogP0.96
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
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

2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
2-methyl-4-nonoxyaniline
CID 43128997
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol (CID 61069192) is 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol is Cc1cc(OCCOCCO)ccc1N.
What is the InChIKey of 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol?
The InChIKey is HJYYKJOFDMFCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-8-10(2-3-11(9)12)15-7-6-14-5-4-13/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of 2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol?
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.96, 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-3-methylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 61069192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).