O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine

C10H15NO3 — CID 117286966

IUPACO-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(OC)c(CON)c1C
InChIInChI=1S/C10H15NO3/c1-7-8(6-14-11)10(13-3)5-4-9(7)12-2/h4-5H,6,11H2,1-3H3
InChIKeyHYLUHMAEZJKGPO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.40
Rot. Bonds4

About O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine

O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine (PubChem CID 117286966) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
PubChem CID117286966
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameO-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(OC)c(CON)c1C
InChIInChI=1S/C10H15NO3/c1-7-8(6-14-11)10(13-3)5-4-9(7)12-2/h4-5H,6,11H2,1-3H3
InChIKeyHYLUHMAEZJKGPO-UHFFFAOYSA-N
XLogP1.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
CID 117294860
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
2-butyl-4-methoxy-3-methylaniline
CID 134964054
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
4-methoxy-2,3-dimethylaniline
CID 11094809
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
CID 117316718
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene
CID 175297851

Frequently Asked Questions

What is the IUPAC name of O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine (CID 117286966) is O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine is COc1ccc(OC)c(CON)c1C.
What is the InChIKey of O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is HYLUHMAEZJKGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-8(6-14-11)10(13-3)5-4-9(7)12-2/h4-5H,6,11H2,1-3H3.
What are the key properties of O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine?
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 197.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117286966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).