3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane

C16H22FN — CID 177148488

IUPAC3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CC1C2CN(Cc3ccc(F)cc3)CC12
InChIInChI=1S/C16H22FN/c1-11(2)7-14-15-9-18(10-16(14)15)8-12-3-5-13(17)6-4-12/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyJNFWPFGOPYUWGY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.55
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane

3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 177148488) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane
PubChem CID177148488
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CC1C2CN(Cc3ccc(F)cc3)CC12
InChIInChI=1S/C16H22FN/c1-11(2)7-14-15-9-18(10-16(14)15)8-12-3-5-13(17)6-4-12/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyJNFWPFGOPYUWGY-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane (CID 177148488) is 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane is CC(C)CC1C2CN(Cc3ccc(F)cc3)CC12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is JNFWPFGOPYUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11(2)7-14-15-9-18(10-16(14)15)8-12-3-5-13(17)6-4-12/h3-6,11,14-16H,7-10H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane?
3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 247.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 177148488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).