N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine

C10H15NO3 — CID 117287016

IUPACN-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(C)cc(CNO)c1OC
InChIInChI=1S/C10H15NO3/c1-7-4-8(6-11-12)10(14-3)9(5-7)13-2/h4-5,11-12H,6H2,1-3H3
InChIKeyWCGQUYMIOXIBDZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.49
Rot. Bonds4

About N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine

N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine (PubChem CID 117287016) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
PubChem CID117287016
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(C)cc(CNO)c1OC
InChIInChI=1S/C10H15NO3/c1-7-4-8(6-11-12)10(14-3)9(5-7)13-2/h4-5,11-12H,6H2,1-3H3
InChIKeyWCGQUYMIOXIBDZ-UHFFFAOYSA-N
XLogP1.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.49
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

3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
CID 117308984
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 84803061
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine (CID 117287016) is N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine is COc1cc(C)cc(CNO)c1OC.
What is the InChIKey of N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
The InChIKey is WCGQUYMIOXIBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-4-8(6-11-12)10(14-3)9(5-7)13-2/h4-5,11-12H,6H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine has a molecular weight of 197.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117287016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).