1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane

C13H17N — CID 84770532

IUPAC1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCc1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)13-7-6-12(13)8-14-9-13/h2-5,12,14H,6-9H2,1H3
InChIKeyRQPHAKTXIYAINR-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.25
Rot. Bonds1

About 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane

1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane (PubChem CID 84770532) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
PubChem CID84770532
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
SMILESCc1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)13-7-6-12(13)8-14-9-13/h2-5,12,14H,6-9H2,1H3
InChIKeyRQPHAKTXIYAINR-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976
1-phenyl-3-azabicyclo[3.2.0]heptane
CID 84766513
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84776446
1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
CID 84776453
3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 75181358
(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 53391718
1-(1-cyclohexylcyclohexyl)-4-methylbenzene
CID 19365404
1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 13279027
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane (CID 84770532) is 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane is Cc1ccc(C23CCC2CNC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane?
The InChIKey is RQPHAKTXIYAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-2-4-11(5-3-10)13-7-6-12(13)8-14-9-13/h2-5,12,14H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane?
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane has a molecular weight of 187.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 84770532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).