O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine

C12H17NO2 — CID 117296439

IUPACO-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(OC2CCC2)c(CON)c1
InChIInChI=1S/C12H17NO2/c1-9-5-6-12(10(7-9)8-14-13)15-11-3-2-4-11/h5-7,11H,2-4,8,13H2,1H3
InChIKeyBFIYLFOBBYOACF-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.32
Rot. Bonds4

About O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine

O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine (PubChem CID 117296439) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
PubChem CID117296439
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameO-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(OC2CCC2)c(CON)c1
InChIInChI=1S/C12H17NO2/c1-9-5-6-12(10(7-9)8-14-13)15-11-3-2-4-11/h5-7,11H,2-4,8,13H2,1H3
InChIKeyBFIYLFOBBYOACF-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[(2-cyclobutyloxy-5-methylphenyl)methyl]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

(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
CID 117307584
O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117280695
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289

Frequently Asked Questions

What is the IUPAC name of O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine (CID 117296439) is O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine is Cc1ccc(OC2CCC2)c(CON)c1.
What is the InChIKey of O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine?
The InChIKey is BFIYLFOBBYOACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-6-12(10(7-9)8-14-13)15-11-3-2-4-11/h5-7,11H,2-4,8,13H2,1H3.
What are the key properties of O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine?
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine has a molecular weight of 207.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117296439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).