4-(2-aminooxyethyl)-2,3-dimethylphenol

C10H15NO2 — CID 117278812

IUPAC4-(2-aminooxyethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(CCON)c1C
InChIInChI=1S/C10H15NO2/c1-7-8(2)10(12)4-3-9(7)5-6-13-11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyBVCCKWKAXWIPRK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.44
Rot. Bonds3

About 4-(2-aminooxyethyl)-2,3-dimethylphenol

4-(2-aminooxyethyl)-2,3-dimethylphenol (PubChem CID 117278812) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(2-aminooxyethyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(2-aminooxyethyl)-2,3-dimethylphenol
PubChem CID117278812
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(2-aminooxyethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(CCON)c1C
InChIInChI=1S/C10H15NO2/c1-7-8(2)10(12)4-3-9(7)5-6-13-11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyBVCCKWKAXWIPRK-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)-2,6-dimethylphenol
CID 117278817
4-(2-bromoethyl)-2,3-dimethylphenol
CID 171479549
3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
4-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278408
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
CID 117278592

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminooxyethyl)-2,3-dimethylphenol?
The IUPAC name of 4-(2-aminooxyethyl)-2,3-dimethylphenol (CID 117278812) is 4-(2-aminooxyethyl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(2-aminooxyethyl)-2,3-dimethylphenol?
The canonical SMILES for 4-(2-aminooxyethyl)-2,3-dimethylphenol is Cc1c(O)ccc(CCON)c1C.
What is the InChIKey of 4-(2-aminooxyethyl)-2,3-dimethylphenol?
The InChIKey is BVCCKWKAXWIPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-8(2)10(12)4-3-9(7)5-6-13-11/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of 4-(2-aminooxyethyl)-2,3-dimethylphenol?
4-(2-aminooxyethyl)-2,3-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 4-(2-aminooxyethyl)-2,3-dimethylphenol is sourced from PubChem (CID 117278812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).