3-(2-aminooxyethyl)-2,6-dimethylphenol

C10H15NO2 — CID 117278817

IUPAC3-(2-aminooxyethyl)-2,6-dimethylphenol
SMILESCc1ccc(CCON)c(C)c1O
InChIInChI=1S/C10H15NO2/c1-7-3-4-9(5-6-13-11)8(2)10(7)12/h3-4,12H,5-6,11H2,1-2H3
InChIKeyDJFVZELEBQWRQC-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.44
Rot. Bonds3

About 3-(2-aminooxyethyl)-2,6-dimethylphenol

3-(2-aminooxyethyl)-2,6-dimethylphenol (PubChem CID 117278817) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-aminooxyethyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2-aminooxyethyl)-2,6-dimethylphenol
PubChem CID117278817
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(2-aminooxyethyl)-2,6-dimethylphenol
SMILESCc1ccc(CCON)c(C)c1O
InChIInChI=1S/C10H15NO2/c1-7-3-4-9(5-6-13-11)8(2)10(7)12/h3-4,12H,5-6,11H2,1-2H3
InChIKeyDJFVZELEBQWRQC-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812
2,6-dimethyl-3-pentylphenol
CID 22762210
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117307430
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
CID 117276124
O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
CID 117343414
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
CID 117279515

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethyl)-2,6-dimethylphenol?
The IUPAC name of 3-(2-aminooxyethyl)-2,6-dimethylphenol (CID 117278817) is 3-(2-aminooxyethyl)-2,6-dimethylphenol.
What is the SMILES notation for 3-(2-aminooxyethyl)-2,6-dimethylphenol?
The canonical SMILES for 3-(2-aminooxyethyl)-2,6-dimethylphenol is Cc1ccc(CCON)c(C)c1O.
What is the InChIKey of 3-(2-aminooxyethyl)-2,6-dimethylphenol?
The InChIKey is DJFVZELEBQWRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-3-4-9(5-6-13-11)8(2)10(7)12/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of 3-(2-aminooxyethyl)-2,6-dimethylphenol?
3-(2-aminooxyethyl)-2,6-dimethylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethyl)-2,6-dimethylphenol is sourced from PubChem (CID 117278817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).