O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine

C10H14ClNO3 — CID 117335488

IUPACO-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(CON)c(OC)c1Cl
InChIInChI=1S/C10H14ClNO3/c1-6-4-7(5-15-12)10(14-3)8(11)9(6)13-2/h4H,5,12H2,1-3H3
InChIKeyPJCYYAMPXLZIPT-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.06
Rot. Bonds4

About O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine

O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine (PubChem CID 117335488) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
PubChem CID117335488
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC NameO-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(CON)c(OC)c1Cl
InChIInChI=1S/C10H14ClNO3/c1-6-4-7(5-15-12)10(14-3)8(11)9(6)13-2/h4H,5,12H2,1-3H3
InChIKeyPJCYYAMPXLZIPT-UHFFFAOYSA-N
XLogP2.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.06
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

O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
O-[(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methyl]hydroxylamine
CID 117392802
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
CID 84792455
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117307430
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138

Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine (CID 117335488) is O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine is COc1c(C)cc(CON)c(OC)c1Cl.
What is the InChIKey of O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
The InChIKey is PJCYYAMPXLZIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-6-4-7(5-15-12)10(14-3)8(11)9(6)13-2/h4H,5,12H2,1-3H3.
What are the key properties of O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine?
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine has a molecular weight of 231.68 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117335488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).