O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine

C11H16FNO3 — CID 117330369

IUPACO-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
SMILESCOc1cc(CF)cc(CCON)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-10-6-8(7-12)5-9(3-4-16-13)11(10)15-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyBDMKWAHXCJPBKU-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.61
Rot. Bonds6

About O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine

O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine (PubChem CID 117330369) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
PubChem CID117330369
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameO-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
SMILESCOc1cc(CF)cc(CCON)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-10-6-8(7-12)5-9(3-4-16-13)11(10)15-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyBDMKWAHXCJPBKU-UHFFFAOYSA-N
XLogP1.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[2-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117406777
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
CID 117330352
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
CID 118818993
O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
CID 117279515
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117326466
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478

Frequently Asked Questions

What is the IUPAC name of O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine (CID 117330369) is O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine is COc1cc(CF)cc(CCON)c1OC.
What is the InChIKey of O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
The InChIKey is BDMKWAHXCJPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-14-10-6-8(7-12)5-9(3-4-16-13)11(10)15-2/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine?
O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine has a molecular weight of 229.25 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117330369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).