(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride

C12H16ClNO — CID 155943666

IUPAC(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
SMILESCl.NCC12CC(c3ccccc3)(CO1)C2
InChIInChI=1S/C12H15NO.ClH/c13-8-12-6-11(7-12,9-14-12)10-4-2-1-3-5-10;/h1-5H,6-9,13H2;1H
InChIKeyULIVTKOVRZEWMC-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.87
Rot. Bonds2

About (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride

(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride (PubChem CID 155943666) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
PubChem CID155943666
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
SMILESCl.NCC12CC(c3ccccc3)(CO1)C2
InChIInChI=1S/C12H15NO.ClH/c13-8-12-6-11(7-12,9-14-12)10-4-2-1-3-5-10;/h1-5H,6-9,13H2;1H
InChIKeyULIVTKOVRZEWMC-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?
The IUPAC name of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride (CID 155943666) is (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?
The canonical SMILES for (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride is Cl.NCC12CC(c3ccccc3)(CO1)C2.
What is the InChIKey of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?
The InChIKey is ULIVTKOVRZEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c13-8-12-6-11(7-12,9-14-12)10-4-2-1-3-5-10;/h1-5H,6-9,13H2;1H.
What are the key properties of (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride?
(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 155943666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).