O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine

C10H14FNO2 — CID 117288455

IUPACO-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1cc(F)c(C)cc1CCON
InChIInChI=1S/C10H14FNO2/c1-7-5-8(3-4-14-12)10(13-2)6-9(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyVLAQCGWDTMLTAN-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.58
Rot. Bonds4

About O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine

O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine (PubChem CID 117288455) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
PubChem CID117288455
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC NameO-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1cc(F)c(C)cc1CCON
InChIInChI=1S/C10H14FNO2/c1-7-5-8(3-4-14-12)10(13-2)6-9(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyVLAQCGWDTMLTAN-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.58
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

O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine (CID 117288455) is O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine is COc1cc(F)c(C)cc1CCON.
What is the InChIKey of O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The InChIKey is VLAQCGWDTMLTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7-5-8(3-4-14-12)10(13-2)6-9(7)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine has a molecular weight of 199.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117288455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).