2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol

C11H17NO2 — CID 130061720

IUPAC2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
SMILESCOCC(N)c1c(C)cc(C)cc1O
InChIInChI=1S/C11H17NO2/c1-7-4-8(2)11(10(13)5-7)9(12)6-14-3/h4-5,9,13H,6,12H2,1-3H3
InChIKeyIICMHEKMAOZKFD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.66
Rot. Bonds3

About 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol

2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol (PubChem CID 130061720) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
PubChem CID130061720
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
SMILESCOCC(N)c1c(C)cc(C)cc1O
InChIInChI=1S/C11H17NO2/c1-7-4-8(2)11(10(13)5-7)9(12)6-14-3/h4-5,9,13H,6,12H2,1-3H3
InChIKeyIICMHEKMAOZKFD-UHFFFAOYSA-N
XLogP1.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol?
The IUPAC name of 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol (CID 130061720) is 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol.
What is the SMILES notation for 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol?
The canonical SMILES for 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol is COCC(N)c1c(C)cc(C)cc1O.
What is the InChIKey of 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol?
The InChIKey is IICMHEKMAOZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-8(2)11(10(13)5-7)9(12)6-14-3/h4-5,9,13H,6,12H2,1-3H3.
What are the key properties of 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol?
2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol is sourced from PubChem (CID 130061720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).