O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine

C9H12ClNO2 — CID 83700383

IUPACO-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(Cl)cc1CON
InChIInChI=1S/C9H12ClNO2/c1-6-3-8(10)4-7(5-13-11)9(6)12-2/h3-4H,5,11H2,1-2H3
InChIKeyDJSHMYKPNOQVLC-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.05
Rot. Bonds3

About O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine

O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine (PubChem CID 83700383) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
PubChem CID83700383
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC NameO-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(Cl)cc1CON
InChIInChI=1S/C9H12ClNO2/c1-6-3-8(10)4-7(5-13-11)9(6)12-2/h3-4H,5,11H2,1-2H3
InChIKeyDJSHMYKPNOQVLC-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.05
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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Related Compounds

O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
CID 116925047
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199
3-(5-chloro-2-methoxy-3-methylphenyl)propanenitrile
CID 82470720
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 98033387
3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651

Frequently Asked Questions

What is the IUPAC name of O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine (CID 83700383) is O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine is COc1c(C)cc(Cl)cc1CON.
What is the InChIKey of O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is DJSHMYKPNOQVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-3-8(10)4-7(5-13-11)9(6)12-2/h3-4H,5,11H2,1-2H3.
What are the key properties of O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 201.65 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 83700383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).