O-[1-(2-methylphenyl)ethyl]hydroxylamine

C9H13NO — CID 117104896

IUPACO-[1-(2-methylphenyl)ethyl]hydroxylamine
SMILESCc1ccccc1C(C)ON
InChIInChI=1S/C9H13NO/c1-7-5-3-4-6-9(7)8(2)11-10/h3-6,8H,10H2,1-2H3
InChIKeyNXLACXCWRGNOBL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.95
Rot. Bonds2

About O-[1-(2-methylphenyl)ethyl]hydroxylamine

O-[1-(2-methylphenyl)ethyl]hydroxylamine (PubChem CID 117104896) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is O-[1-(2-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(2-methylphenyl)ethyl]hydroxylamine
PubChem CID117104896
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameO-[1-(2-methylphenyl)ethyl]hydroxylamine
SMILESCc1ccccc1C(C)ON
InChIInChI=1S/C9H13NO/c1-7-5-3-4-6-9(7)8(2)11-10/h3-6,8H,10H2,1-2H3
InChIKeyNXLACXCWRGNOBL-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[1-(2-methylphenyl)ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19362082
CID 19362082
O-[1-(2-bromophenyl)ethyl]hydroxylamine
CID 117104899
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1-[di(propan-2-yloxy)methyl]-2-methylbenzene
CID 22034845
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
CID 169096953
1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)benzene
CID 158625827

Frequently Asked Questions

What is the IUPAC name of O-[1-(2-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[1-(2-methylphenyl)ethyl]hydroxylamine (CID 117104896) is O-[1-(2-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[1-(2-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[1-(2-methylphenyl)ethyl]hydroxylamine is Cc1ccccc1C(C)ON.
What is the InChIKey of O-[1-(2-methylphenyl)ethyl]hydroxylamine?
The InChIKey is NXLACXCWRGNOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-3-4-6-9(7)8(2)11-10/h3-6,8H,10H2,1-2H3.
What are the key properties of O-[1-(2-methylphenyl)ethyl]hydroxylamine?
O-[1-(2-methylphenyl)ethyl]hydroxylamine has a molecular weight of 151.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(2-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117104896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).