ethane;1-phenyl-3-azabicyclo[3.2.0]heptane

C14H21N — CID 143290504

IUPACethane;1-phenyl-3-azabicyclo[3.2.0]heptane
SMILESCC.c1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C12H15N.C2H6/c1-2-4-10(5-3-1)12-7-6-11(12)8-13-9-12;1-2/h1-5,11,13H,6-9H2;1-2H3
InChIKeyMRGNRHFBBSLBEQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.96
Rot. Bonds1

About ethane;1-phenyl-3-azabicyclo[3.2.0]heptane

ethane;1-phenyl-3-azabicyclo[3.2.0]heptane (PubChem CID 143290504) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;1-phenyl-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Nameethane;1-phenyl-3-azabicyclo[3.2.0]heptane
PubChem CID143290504
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;1-phenyl-3-azabicyclo[3.2.0]heptane
SMILESCC.c1ccc(C23CCC2CNC3)cc1
InChIInChI=1S/C12H15N.C2H6/c1-2-4-10(5-3-1)12-7-6-11(12)8-13-9-12;1-2/h1-5,11,13H,6-9H2;1-2H3
InChIKeyMRGNRHFBBSLBEQ-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-3-azabicyclo[3.2.0]heptane
CID 84766513
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 42582087
(3aR,6aS)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 53391718
1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 13279027
4-phenyl-4-pyrrolidin-3-ylcyclohexan-1-one
CID 57475104
1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 86062450

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-3-azabicyclo[3.2.0]heptane?
The IUPAC name of ethane;1-phenyl-3-azabicyclo[3.2.0]heptane (CID 143290504) is ethane;1-phenyl-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for ethane;1-phenyl-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for ethane;1-phenyl-3-azabicyclo[3.2.0]heptane is CC.c1ccc(C23CCC2CNC3)cc1.
What is the InChIKey of ethane;1-phenyl-3-azabicyclo[3.2.0]heptane?
The InChIKey is MRGNRHFBBSLBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-2-4-10(5-3-1)12-7-6-11(12)8-13-9-12;1-2/h1-5,11,13H,6-9H2;1-2H3.
What are the key properties of ethane;1-phenyl-3-azabicyclo[3.2.0]heptane?
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane has a molecular weight of 203.33 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 143290504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).