O-[[3-(methylamino)phenyl]methyl]hydroxylamine

C8H12N2O — CID 143975046

IUPACO-[[3-(methylamino)phenyl]methyl]hydroxylamine
SMILESCNc1cccc(CON)c1
InChIInChI=1S/C8H12N2O/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5,10H,6,9H2,1H3
InChIKeyKYWOCXYJPXFZGX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.12
Rot. Bonds3

About O-[[3-(methylamino)phenyl]methyl]hydroxylamine

O-[[3-(methylamino)phenyl]methyl]hydroxylamine (PubChem CID 143975046) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is O-[[3-(methylamino)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(methylamino)phenyl]methyl]hydroxylamine
PubChem CID143975046
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameO-[[3-(methylamino)phenyl]methyl]hydroxylamine
SMILESCNc1cccc(CON)c1
InChIInChI=1S/C8H12N2O/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5,10H,6,9H2,1H3
InChIKeyKYWOCXYJPXFZGX-UHFFFAOYSA-N
XLogP1.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-methylaniline
CID 23080905
N-methyl-3-(methylperoxymethyl)aniline
CID 20699956
3-(bromomethyl)-N-methylaniline
CID 147410245
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
2-amino-5-[[3-(methylamino)phenyl]methyl]benzenethiol
CID 116998399
3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
CID 153398401
3-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 116925940
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902

Frequently Asked Questions

What is the IUPAC name of O-[[3-(methylamino)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(methylamino)phenyl]methyl]hydroxylamine (CID 143975046) is O-[[3-(methylamino)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(methylamino)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(methylamino)phenyl]methyl]hydroxylamine is CNc1cccc(CON)c1.
What is the InChIKey of O-[[3-(methylamino)phenyl]methyl]hydroxylamine?
The InChIKey is KYWOCXYJPXFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5,10H,6,9H2,1H3.
What are the key properties of O-[[3-(methylamino)phenyl]methyl]hydroxylamine?
O-[[3-(methylamino)phenyl]methyl]hydroxylamine has a molecular weight of 152.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-(methylamino)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 143975046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).