O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine

C8H10ClNO — CID 117276900

IUPACO-[(2-chloro-3-methylphenyl)methyl]hydroxylamine
SMILESCc1cccc(CON)c1Cl
InChIInChI=1S/C8H10ClNO/c1-6-3-2-4-7(5-11-10)8(6)9/h2-4H,5,10H2,1H3
InChIKeyISGLVUBUPDHKFE-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.04
Rot. Bonds2

About O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine

O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine (PubChem CID 117276900) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-chloro-3-methylphenyl)methyl]hydroxylamine
PubChem CID117276900
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC NameO-[(2-chloro-3-methylphenyl)methyl]hydroxylamine
SMILESCc1cccc(CON)c1Cl
InChIInChI=1S/C8H10ClNO/c1-6-3-2-4-7(5-11-10)8(6)9/h2-4H,5,10H2,1H3
InChIKeyISGLVUBUPDHKFE-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3-methylphenyl)propan-2-one
CID 67126230
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
2-(2-chloro-3-methylphenyl)acetaldehyde
CID 59259547
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
O-(2-chloro-3-methylphenyl)hydroxylamine;hydrochloride
CID 173447819
2-chloro-1-methyl-3-propylbenzene;formaldehyde
CID 177230855
1-(2-chloro-3-methylphenyl)propan-2-ol
CID 117279944
2-chloro-1-(isocyanatomethyl)-3-methylbenzene
CID 117278986
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416
O-[[3-chloro-2-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117296938

Frequently Asked Questions

What is the IUPAC name of O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine (CID 117276900) is O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine is Cc1cccc(CON)c1Cl.
What is the InChIKey of O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is ISGLVUBUPDHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-6-3-2-4-7(5-11-10)8(6)9/h2-4H,5,10H2,1H3.
What are the key properties of O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine?
O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 171.63 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-chloro-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117276900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).