6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane

C12H15NO — CID 83817894

IUPAC6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCOc1ccccc1C1C2CNCC21
InChIInChI=1S/C12H15NO/c1-14-11-5-3-2-4-8(11)12-9-6-13-7-10(9)12/h2-5,9-10,12-13H,6-7H2,1H3
InChIKeyGLHJVTIXZWRJFT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds2

About 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane

6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 83817894) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID83817894
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCOc1ccccc1C1C2CNCC21
InChIInChI=1S/C12H15NO/c1-14-11-5-3-2-4-8(11)12-9-6-13-7-10(9)12/h2-5,9-10,12-13H,6-7H2,1H3
InChIKeyGLHJVTIXZWRJFT-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143
(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
CID 129411572
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373
4-(2-methoxyphenyl)piperidine
CID 544738
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
2-cyclopropyl-6-(2-methoxyphenyl)morpholine
CID 63297411
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
methyl (3R,5R)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942730

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane (CID 83817894) is 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane is COc1ccccc1C1C2CNCC21.
What is the InChIKey of 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is GLHJVTIXZWRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-14-11-5-3-2-4-8(11)12-9-6-13-7-10(9)12/h2-5,9-10,12-13H,6-7H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane?
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 189.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83817894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).