N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine

C9H11ClFNO2 — CID 84787177

IUPACN-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(Cl)cc(C)c(F)c1CNO
InChIInChI=1S/C9H11ClFNO2/c1-5-3-7(10)9(14-2)6(4-12-13)8(5)11/h3,12-13H,4H2,1-2H3
InChIKeyNZJLJKKCIBDOJQ-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.27
Rot. Bonds3

About N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine

N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine (PubChem CID 84787177) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
PubChem CID84787177
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC NameN-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(Cl)cc(C)c(F)c1CNO
InChIInChI=1S/C9H11ClFNO2/c1-5-3-7(10)9(14-2)6(4-12-13)8(5)11/h3,12-13H,4H2,1-2H3
InChIKeyNZJLJKKCIBDOJQ-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.27
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-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
3-(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)propanenitrile
CID 84791711
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
CID 117310285
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine (CID 84787177) is N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine is COc1c(Cl)cc(C)c(F)c1CNO.
What is the InChIKey of N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is NZJLJKKCIBDOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-5-3-7(10)9(14-2)6(4-12-13)8(5)11/h3,12-13H,4H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine?
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 219.64 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84787177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).