1-(2,3-dimethylphenyl)cyclobutan-1-amine

C12H17N — CID 83683088

IUPAC1-(2,3-dimethylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2(N)CCC2)c1C
InChIInChI=1S/C12H17N/c1-9-5-3-6-11(10(9)2)12(13)7-4-8-12/h3,5-6H,4,7-8,13H2,1-2H3
InChIKeyGWBYIZJSXQLSGQ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.64
Rot. Bonds1

About 1-(2,3-dimethylphenyl)cyclobutan-1-amine

1-(2,3-dimethylphenyl)cyclobutan-1-amine (PubChem CID 83683088) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)cyclobutan-1-amine
PubChem CID83683088
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-(2,3-dimethylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2(N)CCC2)c1C
InChIInChI=1S/C12H17N/c1-9-5-3-6-11(10(9)2)12(13)7-4-8-12/h3,5-6H,4,7-8,13H2,1-2H3
InChIKeyGWBYIZJSXQLSGQ-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)cyclobutan-1-amine (CID 83683088) is 1-(2,3-dimethylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)cyclobutan-1-amine is Cc1cccc(C2(N)CCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)cyclobutan-1-amine?
The InChIKey is GWBYIZJSXQLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-3-6-11(10(9)2)12(13)7-4-8-12/h3,5-6H,4,7-8,13H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)cyclobutan-1-amine?
1-(2,3-dimethylphenyl)cyclobutan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 83683088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).