O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine

C11H16FNO2 — CID 95441631

IUPACO-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
SMILESCOc1ccc(F)cc1CCCCON
InChIInChI=1S/C11H16FNO2/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-15-13/h5-6,8H,2-4,7,13H2,1H3
InChIKeyGRMLSJBPLWWAAK-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.05
Rot. Bonds6

About O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine

O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine (PubChem CID 95441631) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
PubChem CID95441631
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC NameO-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
SMILESCOc1ccc(F)cc1CCCCON
InChIInChI=1S/C11H16FNO2/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-15-13/h5-6,8H,2-4,7,13H2,1H3
InChIKeyGRMLSJBPLWWAAK-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
CID 95452442
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethanamine
CID 44590694

Frequently Asked Questions

What is the IUPAC name of O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine?
The IUPAC name of O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine (CID 95441631) is O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine.
What is the SMILES notation for O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine?
The canonical SMILES for O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine is COc1ccc(F)cc1CCCCON.
What is the InChIKey of O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine?
The InChIKey is GRMLSJBPLWWAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-15-13/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine?
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine has a molecular weight of 213.25 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine is sourced from PubChem (CID 95441631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).