[2-(dimethylaminooxy)phenyl]methanamine

C9H14N2O — CID 174902003

IUPAC[2-(dimethylaminooxy)phenyl]methanamine
SMILESCN(C)Oc1ccccc1CN
InChIInChI=1S/C9H14N2O/c1-11(2)12-9-6-4-3-5-8(9)7-10/h3-6H,7,10H2,1-2H3
InChIKeyZZVPXGUVTOBCHR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.00
Rot. Bonds3

About [2-(dimethylaminooxy)phenyl]methanamine

[2-(dimethylaminooxy)phenyl]methanamine (PubChem CID 174902003) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [2-(dimethylaminooxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(dimethylaminooxy)phenyl]methanamine
PubChem CID174902003
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[2-(dimethylaminooxy)phenyl]methanamine
SMILESCN(C)Oc1ccccc1CN
InChIInChI=1S/C9H14N2O/c1-11(2)12-9-6-4-3-5-8(9)7-10/h3-6H,7,10H2,1-2H3
InChIKeyZZVPXGUVTOBCHR-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [2-(dimethylaminooxy)phenyl]methanamine?
The IUPAC name of [2-(dimethylaminooxy)phenyl]methanamine (CID 174902003) is [2-(dimethylaminooxy)phenyl]methanamine.
What is the SMILES notation for [2-(dimethylaminooxy)phenyl]methanamine?
The canonical SMILES for [2-(dimethylaminooxy)phenyl]methanamine is CN(C)Oc1ccccc1CN.
What is the InChIKey of [2-(dimethylaminooxy)phenyl]methanamine?
The InChIKey is ZZVPXGUVTOBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(2)12-9-6-4-3-5-8(9)7-10/h3-6H,7,10H2,1-2H3.
What are the key properties of [2-(dimethylaminooxy)phenyl]methanamine?
[2-(dimethylaminooxy)phenyl]methanamine has a molecular weight of 166.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylaminooxy)phenyl]methanamine is sourced from PubChem (CID 174902003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).