2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol

C10H14ClNO3 — CID 117335463

IUPAC2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(CCON)c1O
InChIInChI=1S/C10H14ClNO3/c1-6-5-8(11)10(14-2)9(13)7(6)3-4-15-12/h5,13H,3-4,12H2,1-2H3
InChIKeyXKKUZUZMADDWFL-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol

2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol (PubChem CID 117335463) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
PubChem CID117335463
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(CCON)c1O
InChIInChI=1S/C10H14ClNO3/c1-6-5-8(11)10(14-2)9(13)7(6)3-4-15-12/h5,13H,3-4,12H2,1-2H3
InChIKeyXKKUZUZMADDWFL-UHFFFAOYSA-N
XLogP1.80
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714
2-amino-3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propanoic acid
CID 117403269
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117403658
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509
O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117445533
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol?
The IUPAC name of 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol (CID 117335463) is 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol?
The canonical SMILES for 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol is COc1c(Cl)cc(C)c(CCON)c1O.
What is the InChIKey of 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol?
The InChIKey is XKKUZUZMADDWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-6-5-8(11)10(14-2)9(13)7(6)3-4-15-12/h5,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol?
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol has a molecular weight of 231.68 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol is sourced from PubChem (CID 117335463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).