1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane

C17H17N — CID 13279027

IUPAC1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(-c2ccc(C34CNCC3C4)cc2)cc1
InChIInChI=1S/C17H17N/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-10-16(17)11-18-12-17/h1-9,16,18H,10-12H2
InChIKeyFKKPHPHBDNQCCQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.21
Rot. Bonds2

About 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane

1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 13279027) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID13279027
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(-c2ccc(C34CNCC3C4)cc2)cc1
InChIInChI=1S/C17H17N/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-10-16(17)11-18-12-17/h1-9,16,18H,10-12H2
InChIKeyFKKPHPHBDNQCCQ-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane (CID 13279027) is 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane is c1ccc(-c2ccc(C34CNCC3C4)cc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is FKKPHPHBDNQCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-10-16(17)11-18-12-17/h1-9,16,18H,10-12H2.
What are the key properties of 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 235.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 13279027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).