N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine

C9H13NO3 — CID 11572077

IUPACN-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1cccc(CNO)c1OC
InChIInChI=1S/C9H13NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-5,10-11H,6H2,1-2H3
InChIKeyFBNYJQFZYQVWTP-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.18
Rot. Bonds4

About N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine

N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine (PubChem CID 11572077) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
PubChem CID11572077
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1cccc(CNO)c1OC
InChIInChI=1S/C9H13NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-5,10-11H,6H2,1-2H3
InChIKeyFBNYJQFZYQVWTP-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.18
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

N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
CID 59317356
CID 59317356
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine (CID 11572077) is N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine is COc1cccc(CNO)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is FBNYJQFZYQVWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-5,10-11H,6H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine?
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 11572077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).