O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine

C10H14ClNO4 — CID 117372417

IUPACO-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(Cl)c(OC)c(CON)c1OC
InChIInChI=1S/C10H14ClNO4/c1-13-8-4-7(11)9(14-2)6(5-16-12)10(8)15-3/h4H,5,12H2,1-3H3
InChIKeyIDMIUJDSHMHKAF-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.76
Rot. Bonds5

About O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine

O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine (PubChem CID 117372417) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
PubChem CID117372417
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC NameO-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
SMILESCOc1cc(Cl)c(OC)c(CON)c1OC
InChIInChI=1S/C10H14ClNO4/c1-13-8-4-7(11)9(14-2)6(5-16-12)10(8)15-3/h4H,5,12H2,1-3H3
InChIKeyIDMIUJDSHMHKAF-UHFFFAOYSA-N
XLogP1.76
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117361513
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride
CID 12761789
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677

Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine (CID 117372417) is O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine is COc1cc(Cl)c(OC)c(CON)c1OC.
What is the InChIKey of O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine?
The InChIKey is IDMIUJDSHMHKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4/c1-13-8-4-7(11)9(14-2)6(5-16-12)10(8)15-3/h4H,5,12H2,1-3H3.
What are the key properties of O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine?
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine has a molecular weight of 247.68 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117372417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).