[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine

C12H15FN2 — CID 105459012

IUPAC[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
SMILESNCC1C2CC(C2)N1c1ccccc1F
InChIInChI=1S/C12H15FN2/c13-10-3-1-2-4-11(10)15-9-5-8(6-9)12(15)7-14/h1-4,8-9,12H,5-7,14H2
InChIKeyUZCHTBLDBIYDQW-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.75
Rot. Bonds2

About [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine

[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine (PubChem CID 105459012) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
PubChem CID105459012
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
SMILESNCC1C2CC(C2)N1c1ccccc1F
InChIInChI=1S/C12H15FN2/c13-10-3-1-2-4-11(10)15-9-5-8(6-9)12(15)7-14/h1-4,8-9,12H,5-7,14H2
InChIKeyUZCHTBLDBIYDQW-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine (CID 105459012) is [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine is NCC1C2CC(C2)N1c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
The InChIKey is UZCHTBLDBIYDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-10-3-1-2-4-11(10)15-9-5-8(6-9)12(15)7-14/h1-4,8-9,12H,5-7,14H2.
What are the key properties of [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine has a molecular weight of 206.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine is sourced from PubChem (CID 105459012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).