(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane

C12H15N — CID 10197910

IUPAC(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
SMILESc1ccc([C@@H]2CC3CCC2N3)cc1
InChIInChI=1S/C12H15N/c1-2-4-9(5-3-1)11-8-10-6-7-12(11)13-10/h1-5,10-13H,6-8H2/t10?,11-,12?/m0/s1
InChIKeyJCPKJBHHIVVGPO-CXQJBGSLSA-N
MW173.26 g/mol
LogP2.29
Rot. Bonds1

About (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane

(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane (PubChem CID 10197910) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
PubChem CID10197910
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
SMILESc1ccc([C@@H]2CC3CCC2N3)cc1
InChIInChI=1S/C12H15N/c1-2-4-9(5-3-1)11-8-10-6-7-12(11)13-10/h1-5,10-13H,6-8H2/t10?,11-,12?/m0/s1
InChIKeyJCPKJBHHIVVGPO-CXQJBGSLSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266048
(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane
CID 10487486
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10901613
(1R,2S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10081807
(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 854023
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065
(1R,2R,4R)-2-(6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 23955938
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 11197491
(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one
CID 11735828
methyl (1R,2R,3S,5R)-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 90680153
3-phenyl-2-azabicyclo[2.2.1]heptane
CID 84766510
5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile
CID 89127055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane (CID 10197910) is (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane is c1ccc([C@@H]2CC3CCC2N3)cc1.
What is the InChIKey of (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is JCPKJBHHIVVGPO-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-9(5-3-1)11-8-10-6-7-12(11)13-10/h1-5,10-13H,6-8H2/t10?,11-,12?/m0/s1.
What are the key properties of (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane?
(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 173.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10197910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).