(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C12H16ClN — CID 46783598

IUPAC(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCc1ccc([C@]23CNC[C@H]2C3)cc1.Cl
InChIInChI=1S/C12H15N.ClH/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12;/h2-5,11,13H,6-8H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyOTZOPAFTLUOBOM-LYCTWNKOSA-N
MW209.72 g/mol
LogP2.28
Rot. Bonds1

About (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 46783598) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID46783598
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCc1ccc([C@]23CNC[C@H]2C3)cc1.Cl
InChIInChI=1S/C12H15N.ClH/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12;/h2-5,11,13H,6-8H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyOTZOPAFTLUOBOM-LYCTWNKOSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 46783598) is (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is Cc1ccc([C@]23CNC[C@H]2C3)cc1.Cl.
What is the InChIKey of (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is OTZOPAFTLUOBOM-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H15N.ClH/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12;/h2-5,11,13H,6-8H2,1H3;1H/t11-,12+;/m1./s1.
What are the key properties of (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
(1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 46783598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).