O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine

C9H14N2O — CID 18728242

IUPACO-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine
SMILESCc1cc(CN)ccc1CON
InChIInChI=1S/C9H14N2O/c1-7-4-8(5-10)2-3-9(7)6-12-11/h2-4H,5-6,10-11H2,1H3
InChIKeyCSQXZXMXUSGYJE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.84
Rot. Bonds3

About O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine

O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine (PubChem CID 18728242) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine
PubChem CID18728242
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameO-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine
SMILESCc1cc(CN)ccc1CON
InChIInChI=1S/C9H14N2O/c1-7-4-8(5-10)2-3-9(7)6-12-11/h2-4H,5-6,10-11H2,1H3
InChIKeyCSQXZXMXUSGYJE-UHFFFAOYSA-N
XLogP0.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine (CID 18728242) is O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine is Cc1cc(CN)ccc1CON.
What is the InChIKey of O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine?
The InChIKey is CSQXZXMXUSGYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-4-8(5-10)2-3-9(7)6-12-11/h2-4H,5-6,10-11H2,1H3.
What are the key properties of O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine?
O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine has a molecular weight of 166.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(aminomethyl)-2-methylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 18728242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).