N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine

C9H12FNO — CID 84765578

IUPACN-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
SMILESCCc1ccc(F)cc1CNO
InChIInChI=1S/C9H12FNO/c1-2-7-3-4-9(10)5-8(7)6-11-12/h3-5,11-12H,2,6H2,1H3
InChIKeyRGCKUXHVSCZAPU-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.87
Rot. Bonds3

About N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine

N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine (PubChem CID 84765578) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
PubChem CID84765578
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
SMILESCCc1ccc(F)cc1CNO
InChIInChI=1S/C9H12FNO/c1-2-7-3-4-9(10)5-8(7)6-11-12/h3-5,11-12H,2,6H2,1H3
InChIKeyRGCKUXHVSCZAPU-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
2-ethyl-1,4-difluorobenzene
CID 23202513
4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
CID 117276677
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
(2-ethyl-4-fluorophenyl)boronic acid
CID 90206315
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
2-ethyl-4-fluorobenzenethiol
CID 91874071
(2-ethyl-4-fluorophenyl)hydrazine
CID 131054552
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-ethyl-1,4-difluorobenzene;octane
CID 144692824

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine (CID 84765578) is N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine is CCc1ccc(F)cc1CNO.
What is the InChIKey of N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine?
The InChIKey is RGCKUXHVSCZAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-7-3-4-9(10)5-8(7)6-11-12/h3-5,11-12H,2,6H2,1H3.
What are the key properties of N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine?
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine has a molecular weight of 169.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 84765578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).