O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine

C9H12ClNO3 — CID 117310273

IUPACO-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(Cl)c1OC
InChIInChI=1S/C9H12ClNO3/c1-12-7-4-3-6(5-14-11)8(10)9(7)13-2/h3-4H,5,11H2,1-2H3
InChIKeyQECJEIOQDNKGAJ-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.75
Rot. Bonds4

About O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine

O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine (PubChem CID 117310273) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
PubChem CID117310273
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC NameO-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(Cl)c1OC
InChIInChI=1S/C9H12ClNO3/c1-12-7-4-3-6(5-14-11)8(10)9(7)13-2/h3-4H,5,11H2,1-2H3
InChIKeyQECJEIOQDNKGAJ-UHFFFAOYSA-N
XLogP1.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
3-(2-chloro-3,4-dimethoxyphenyl)propanenitrile
CID 142496645
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
amino 3-(2-chloro-3,4-dimethoxyphenyl)-2-methylpropanoate
CID 174797726
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
3-(aminooxymethyl)-6-chloro-2-methoxyphenol
CID 117292180
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 82710373
ethyl 2-(2-chloro-3,4-dimethoxyphenyl)ethanimidate
CID 12939214
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876

Frequently Asked Questions

What is the IUPAC name of O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine (CID 117310273) is O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine is COc1ccc(CON)c(Cl)c1OC.
What is the InChIKey of O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is QECJEIOQDNKGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-12-7-4-3-6(5-14-11)8(10)9(7)13-2/h3-4H,5,11H2,1-2H3.
What are the key properties of O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine?
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 217.65 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117310273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).