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

C12H17NO — CID 66358304

IUPAC3-(2,3-dimethylphenoxy)cyclobutan-1-amine
SMILESCc1cccc(OC2CC(N)C2)c1C
InChIInChI=1S/C12H17NO/c1-8-4-3-5-12(9(8)2)14-11-6-10(13)7-11/h3-5,10-11H,6-7,13H2,1-2H3
InChIKeyVFUIWHWOEMESOD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.17
Rot. Bonds2

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

3-(2,3-dimethylphenoxy)cyclobutan-1-amine (PubChem CID 66358304) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)cyclobutan-1-amine
PubChem CID66358304
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2,3-dimethylphenoxy)cyclobutan-1-amine
SMILESCc1cccc(OC2CC(N)C2)c1C
InChIInChI=1S/C12H17NO/c1-8-4-3-5-12(9(8)2)14-11-6-10(13)7-11/h3-5,10-11H,6-7,13H2,1-2H3
InChIKeyVFUIWHWOEMESOD-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(2,3-dimethylphenoxy)cyclobutan-1-amine (CID 66358304) is 3-(2,3-dimethylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(2,3-dimethylphenoxy)cyclobutan-1-amine is Cc1cccc(OC2CC(N)C2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)cyclobutan-1-amine?
The InChIKey is VFUIWHWOEMESOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-4-3-5-12(9(8)2)14-11-6-10(13)7-11/h3-5,10-11H,6-7,13H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenoxy)cyclobutan-1-amine?
3-(2,3-dimethylphenoxy)cyclobutan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66358304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).