N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine

C9H12ClNO2 — CID 117290406

IUPACN-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)cc(Cl)c1C
InChIInChI=1S/C9H12ClNO2/c1-6-8(10)3-7(5-11-12)4-9(6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyLIQXJQADOFHNJR-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.14
Rot. Bonds3

About N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine

N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine (PubChem CID 117290406) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
PubChem CID117290406
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC NameN-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)cc(Cl)c1C
InChIInChI=1S/C9H12ClNO2/c1-6-8(10)3-7(5-11-12)4-9(6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyLIQXJQADOFHNJR-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
4-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328078
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
CID 117310285
1-[(3-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390262
N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337441
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592
N-[[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117391970
N-[(3,5-dichlorophenyl)methyl]hydroxylamine
CID 75481736
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 82685518
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine (CID 117290406) is N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine is COc1cc(CNO)cc(Cl)c1C.
What is the InChIKey of N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine?
The InChIKey is LIQXJQADOFHNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-8(10)3-7(5-11-12)4-9(6)13-2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine?
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine has a molecular weight of 201.65 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117290406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).