(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane

C18H19NO — CID 11448484

IUPAC(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane
SMILESC[C@@]12C[C@@H]1CCN2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-18-13-14(18)11-12-19(18)15-7-9-17(10-8-15)20-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyWVZAMXISFQSYLZ-KBXCAEBGSA-N
MW265.36 g/mol
LogP4.47
Rot. Bonds3

About (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane

(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 11448484) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane
PubChem CID11448484
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane
SMILESC[C@@]12C[C@@H]1CCN2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-18-13-14(18)11-12-19(18)15-7-9-17(10-8-15)20-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyWVZAMXISFQSYLZ-KBXCAEBGSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane (CID 11448484) is (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane is C[C@@]12C[C@@H]1CCN2c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is WVZAMXISFQSYLZ-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H19NO/c1-18-13-14(18)11-12-19(18)15-7-9-17(10-8-15)20-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane?
(1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 265.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-methyl-2-(4-phenoxyphenyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 11448484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).