N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine

C9H13NO3 — CID 88903555

IUPACN-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
SMILESCOc1ccc(N(C)O)cc1OC
InChIInChI=1S/C9H13NO3/c1-10(11)7-4-5-8(12-2)9(6-7)13-3/h4-6,11H,1-3H3
InChIKeyICTSYOUQXQHOKT-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.53
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine

N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine (PubChem CID 88903555) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
PubChem CID88903555
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
SMILESCOc1ccc(N(C)O)cc1OC
InChIInChI=1S/C9H13NO3/c1-10(11)7-4-5-8(12-2)9(6-7)13-3/h4-6,11H,1-3H3
InChIKeyICTSYOUQXQHOKT-UHFFFAOYSA-N
XLogP1.53
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine (CID 88903555) is N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine is COc1ccc(N(C)O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine?
The InChIKey is ICTSYOUQXQHOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-10(11)7-4-5-8(12-2)9(6-7)13-3/h4-6,11H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine?
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine is sourced from PubChem (CID 88903555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).