O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine

C9H12FNO2 — CID 117280138

IUPACO-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(CON)cc1F
InChIInChI=1S/C9H12FNO2/c1-6-3-7(5-13-11)4-8(10)9(6)12-2/h3-4H,5,11H2,1-2H3
InChIKeyHXCYEFHSASKYIP-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.53
Rot. Bonds3

About O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine

O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine (PubChem CID 117280138) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
PubChem CID117280138
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC NameO-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(CON)cc1F
InChIInChI=1S/C9H12FNO2/c1-6-3-7(5-13-11)4-8(10)9(6)12-2/h3-4H,5,11H2,1-2H3
InChIKeyHXCYEFHSASKYIP-UHFFFAOYSA-N
XLogP1.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
2-(3-fluoro-4-methoxy-5-methylphenyl)acetonitrile
CID 84767810
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874
O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117375508
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360

Frequently Asked Questions

What is the IUPAC name of O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine (CID 117280138) is O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine is COc1c(C)cc(CON)cc1F.
What is the InChIKey of O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine?
The InChIKey is HXCYEFHSASKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-6-3-7(5-13-11)4-8(10)9(6)12-2/h3-4H,5,11H2,1-2H3.
What are the key properties of O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine?
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine has a molecular weight of 185.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).