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

C8H12ClNO — CID 66761654

IUPACO-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride
SMILESCc1cccc(CON)c1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-7-3-2-4-8(5-7)6-10-9;/h2-5H,6,9H2,1H3;1H
InChIKeyFWNKECQDCMNQMU-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.81
Rot. Bonds2

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

O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 66761654) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride
PubChem CID66761654
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC NameO-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride
SMILESCc1cccc(CON)c1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-7-3-2-4-8(5-7)6-10-9;/h2-5H,6,9H2,1H3;1H
InChIKeyFWNKECQDCMNQMU-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride 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

3-Methylbenzyl alcohol
CID 11476
Benzyl ethyl ether
CID 10873
Benzyl methyl ether
CID 10869
Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
O-((3-(Trifluoromethyl)phenyl)methyl)hydroxylamine--hydrogen chloride (1/1)
CID 203812
Hydroxylamine, O-((4-methylphenyl)methyl)-, hydrochloride (1:1)
CID 217575
3,5-Dimethylbenzyl alcohol
CID 33706
Benzyl sulfamate
CID 9990000
o-(4-Fluorobenzyl)hydroxylamine hydrochloride
CID 12800721
o-(3-Fluorobenzyl)hydroxylamine hydrochloride
CID 23206139
1,3-Benzenedimethanol
CID 69374

Frequently Asked Questions

What is the IUPAC name of O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride (CID 66761654) is O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride is Cc1cccc(CON)c1.Cl.
What is the InChIKey of O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is FWNKECQDCMNQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-7-3-2-4-8(5-7)6-10-9;/h2-5H,6,9H2,1H3;1H.
What are the key properties of O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride?
O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-methylphenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 66761654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).