1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C12H16ClNO — CID 12719856

IUPAC1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCOc1ccc(C23CNCC2C3)cc1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-14-11-4-2-9(3-5-11)12-6-10(12)7-13-8-12;/h2-5,10,13H,6-8H2,1H3;1H
InChIKeyABVYPYDYEOHUEJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.98
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 12719856) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID12719856
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCOc1ccc(C23CNCC2C3)cc1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-14-11-4-2-9(3-5-11)12-6-10(12)7-13-8-12;/h2-5,10,13H,6-8H2,1H3;1H
InChIKeyABVYPYDYEOHUEJ-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 12719856) is 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is COc1ccc(C23CNCC2C3)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is ABVYPYDYEOHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-14-11-4-2-9(3-5-11)12-6-10(12)7-13-8-12;/h2-5,10,13H,6-8H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 12719856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).