3-(1-aminocyclobutyl)-2-methylphenol

C11H15NO — CID 117277633

IUPAC3-(1-aminocyclobutyl)-2-methylphenol
SMILESCc1c(O)cccc1C1(N)CCC1
InChIInChI=1S/C11H15NO/c1-8-9(4-2-5-10(8)13)11(12)6-3-7-11/h2,4-5,13H,3,6-7,12H2,1H3
InChIKeyAOAUGQURWQXERV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.04
Rot. Bonds1

About 3-(1-aminocyclobutyl)-2-methylphenol

3-(1-aminocyclobutyl)-2-methylphenol (PubChem CID 117277633) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1-aminocyclobutyl)-2-methylphenol.

Molecular Properties

Compound Name3-(1-aminocyclobutyl)-2-methylphenol
PubChem CID117277633
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(1-aminocyclobutyl)-2-methylphenol
SMILESCc1c(O)cccc1C1(N)CCC1
InChIInChI=1S/C11H15NO/c1-8-9(4-2-5-10(8)13)11(12)6-3-7-11/h2,4-5,13H,3,6-7,12H2,1H3
InChIKeyAOAUGQURWQXERV-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclobutyl)-2-methylphenol?
The IUPAC name of 3-(1-aminocyclobutyl)-2-methylphenol (CID 117277633) is 3-(1-aminocyclobutyl)-2-methylphenol.
What is the SMILES notation for 3-(1-aminocyclobutyl)-2-methylphenol?
The canonical SMILES for 3-(1-aminocyclobutyl)-2-methylphenol is Cc1c(O)cccc1C1(N)CCC1.
What is the InChIKey of 3-(1-aminocyclobutyl)-2-methylphenol?
The InChIKey is AOAUGQURWQXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-9(4-2-5-10(8)13)11(12)6-3-7-11/h2,4-5,13H,3,6-7,12H2,1H3.
What are the key properties of 3-(1-aminocyclobutyl)-2-methylphenol?
3-(1-aminocyclobutyl)-2-methylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutyl)-2-methylphenol is sourced from PubChem (CID 117277633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).