O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine

C8H10ClNO — CID 117276898

IUPACO-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Cl)cc(CON)c1
InChIInChI=1S/C8H10ClNO/c1-6-2-7(5-11-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChIKeyNUHPRLQAVFCXDS-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.04
Rot. Bonds2

About O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine

O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine (PubChem CID 117276898) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
PubChem CID117276898
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC NameO-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Cl)cc(CON)c1
InChIInChI=1S/C8H10ClNO/c1-6-2-7(5-11-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChIKeyNUHPRLQAVFCXDS-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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Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine (CID 117276898) is O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine is Cc1cc(Cl)cc(CON)c1.
What is the InChIKey of O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine?
The InChIKey is NUHPRLQAVFCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-6-2-7(5-11-10)4-8(9)3-6/h2-4H,5,10H2,1H3.
What are the key properties of O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine?
O-[(3-chloro-5-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-[(3-chloro-5-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117276898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).