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

C9H12FNO2 — CID 117280060

IUPACN-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(F)cc1CNO
InChIInChI=1S/C9H12FNO2/c1-6-3-8(10)4-7(5-11-12)9(6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyJHCBTFYEPGAEIF-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.62
Rot. Bonds3

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

N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine (PubChem CID 117280060) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
PubChem CID117280060
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC NameN-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(F)cc1CNO
InChIInChI=1S/C9H12FNO2/c1-6-3-8(10)4-7(5-11-12)9(6)13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyJHCBTFYEPGAEIF-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.62
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

(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
CID 117286131
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
N-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]hydroxylamine
CID 117308984
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
CID 117441591
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine (CID 117280060) is N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine is COc1c(C)cc(F)cc1CNO.
What is the InChIKey of N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is JHCBTFYEPGAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-6-3-8(10)4-7(5-11-12)9(6)13-2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine?
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 185.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117280060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).