6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane

C13H17NO2 — CID 83822143

IUPAC6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCOc1cccc(C2C3CNCC32)c1OC
InChIInChI=1S/C13H17NO2/c1-15-11-5-3-4-8(13(11)16-2)12-9-6-14-7-10(9)12/h3-5,9-10,12,14H,6-7H2,1-2H3
InChIKeyGFMNHHVQIYOHIV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds3

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

6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 83822143) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID83822143
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCOc1cccc(C2C3CNCC32)c1OC
InChIInChI=1S/C13H17NO2/c1-15-11-5-3-4-8(13(11)16-2)12-9-6-14-7-10(9)12/h3-5,9-10,12,14H,6-7H2,1-2H3
InChIKeyGFMNHHVQIYOHIV-UHFFFAOYSA-N
XLogP1.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(3R,4S)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 56972004
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
CID 4054499
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
CID 66106301
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
CID 107391518
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane (CID 83822143) is 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane is COc1cccc(C2C3CNCC32)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is GFMNHHVQIYOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-11-5-3-4-8(13(11)16-2)12-9-6-14-7-10(9)12/h3-5,9-10,12,14H,6-7H2,1-2H3.
What are the key properties of 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane?
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 219.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83822143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).