N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine

C15H19FN2O — CID 73189758

IUPACN-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine
SMILESCN1C2CCC1CC(C(=NO)c1ccccc1F)C2
InChIInChI=1S/C15H19FN2O/c1-18-11-6-7-12(18)9-10(8-11)15(17-19)13-4-2-3-5-14(13)16/h2-5,10-12,19H,6-9H2,1H3
InChIKeyKCRVMZHBQUDJQK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds2

About N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine

N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine (PubChem CID 73189758) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine
PubChem CID73189758
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine
SMILESCN1C2CCC1CC(C(=NO)c1ccccc1F)C2
InChIInChI=1S/C15H19FN2O/c1-18-11-6-7-12(18)9-10(8-11)15(17-19)13-4-2-3-5-14(13)16/h2-5,10-12,19H,6-9H2,1H3
InChIKeyKCRVMZHBQUDJQK-UHFFFAOYSA-N
XLogP2.88
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine (CID 73189758) is N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine is CN1C2CCC1CC(C(=NO)c1ccccc1F)C2.
What is the InChIKey of N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine?
The InChIKey is KCRVMZHBQUDJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18-11-6-7-12(18)9-10(8-11)15(17-19)13-4-2-3-5-14(13)16/h2-5,10-12,19H,6-9H2,1H3.
What are the key properties of N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine?
N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine has a molecular weight of 262.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 73189758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).