6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane

C13H17N — CID 83817723

IUPAC6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C2C3CNCC32)c(C)c1
InChIInChI=1S/C13H17N/c1-8-3-4-10(9(2)5-8)13-11-6-14-7-12(11)13/h3-5,11-14H,6-7H2,1-2H3
InChIKeyKBASACWGPSWJEI-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.24
Rot. Bonds1

About 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane

6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 83817723) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID83817723
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C2C3CNCC32)c(C)c1
InChIInChI=1S/C13H17N/c1-8-3-4-10(9(2)5-8)13-11-6-14-7-12(11)13/h3-5,11-14H,6-7H2,1-2H3
InChIKeyKBASACWGPSWJEI-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
2-(2,4-dimethylphenyl)-6-methyl-1,4-oxazepane
CID 65035438
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
2-(2,4-dimethylphenyl)-6-phenylmorpholine
CID 43438862
2-cyclopropyl-6-(2,4-dimethylphenyl)morpholine
CID 63296925
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
4-(2,4-dimethylphenyl)-2,6-dimethylpiperidine
CID 142342615
3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
1-(2-bromocyclopropyl)-2,4-dimethylbenzene
CID 130539902
3-(2,4-dimethylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000283

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane (CID 83817723) is 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane is Cc1ccc(C2C3CNCC32)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is KBASACWGPSWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-8-3-4-10(9(2)5-8)13-11-6-14-7-12(11)13/h3-5,11-14H,6-7H2,1-2H3.
What are the key properties of 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane?
6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 187.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).