3-(cyclopropylamino)-2,6-dimethylphenol

C11H15NO — CID 103439123

IUPAC3-(cyclopropylamino)-2,6-dimethylphenol
SMILESCc1ccc(NC2CC2)c(C)c1O
InChIInChI=1S/C11H15NO/c1-7-3-6-10(8(2)11(7)13)12-9-4-5-9/h3,6,9,12-13H,4-5H2,1-2H3
InChIKeyYDCWLGBFAPUYJY-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.58
Rot. Bonds2

About 3-(cyclopropylamino)-2,6-dimethylphenol

3-(cyclopropylamino)-2,6-dimethylphenol (PubChem CID 103439123) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(cyclopropylamino)-2,6-dimethylphenol
PubChem CID103439123
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(cyclopropylamino)-2,6-dimethylphenol
SMILESCc1ccc(NC2CC2)c(C)c1O
InChIInChI=1S/C11H15NO/c1-7-3-6-10(8(2)11(7)13)12-9-4-5-9/h3,6,9,12-13H,4-5H2,1-2H3
InChIKeyYDCWLGBFAPUYJY-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(cyclopropylamino)-2,6-dimethylphenol (CID 103439123) is 3-(cyclopropylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(cyclopropylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(cyclopropylamino)-2,6-dimethylphenol is Cc1ccc(NC2CC2)c(C)c1O.
What is the InChIKey of 3-(cyclopropylamino)-2,6-dimethylphenol?
The InChIKey is YDCWLGBFAPUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-3-6-10(8(2)11(7)13)12-9-4-5-9/h3,6,9,12-13H,4-5H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-2,6-dimethylphenol?
3-(cyclopropylamino)-2,6-dimethylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-2,6-dimethylphenol is sourced from PubChem (CID 103439123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).