O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride

C8H12ClNO2 — CID 18525997

IUPACO-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride
SMILESCOc1cccc(CON)c1.Cl
InChIInChI=1S/C8H11NO2.ClH/c1-10-8-4-2-3-7(5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
InChIKeyDNGAZMVOQCQJIG-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.51
Rot. Bonds3

About O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride

O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 18525997) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride
PubChem CID18525997
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC NameO-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride
SMILESCOc1cccc(CON)c1.Cl
InChIInChI=1S/C8H11NO2.ClH/c1-10-8-4-2-3-7(5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
InChIKeyDNGAZMVOQCQJIG-UHFFFAOYSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.51
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 O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride (CID 18525997) is O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride is COc1cccc(CON)c1.Cl.
What is the InChIKey of O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is DNGAZMVOQCQJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-3-7(5-8)6-11-9;/h2-5H,6,9H2,1H3;1H.
What are the key properties of O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride?
O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-methoxyphenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 18525997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).