3-(furan-3-ylmethylamino)-2,6-dimethylphenol

C13H15NO2 — CID 63204508

IUPAC3-(furan-3-ylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccoc2)c(C)c1O
InChIInChI=1S/C13H15NO2/c1-9-3-4-12(10(2)13(9)15)14-7-11-5-6-16-8-11/h3-6,8,14-15H,7H2,1-2H3
InChIKeySDTLQXIJANQYII-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.21
Rot. Bonds3

About 3-(furan-3-ylmethylamino)-2,6-dimethylphenol

3-(furan-3-ylmethylamino)-2,6-dimethylphenol (PubChem CID 63204508) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-2,6-dimethylphenol
PubChem CID63204508
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(furan-3-ylmethylamino)-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccoc2)c(C)c1O
InChIInChI=1S/C13H15NO2/c1-9-3-4-12(10(2)13(9)15)14-7-11-5-6-16-8-11/h3-6,8,14-15H,7H2,1-2H3
InChIKeySDTLQXIJANQYII-UHFFFAOYSA-N
XLogP3.21
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(furan-3-ylmethylamino)-2,6-dimethylphenol (CID 63204508) is 3-(furan-3-ylmethylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(furan-3-ylmethylamino)-2,6-dimethylphenol is Cc1ccc(NCc2ccoc2)c(C)c1O.
What is the InChIKey of 3-(furan-3-ylmethylamino)-2,6-dimethylphenol?
The InChIKey is SDTLQXIJANQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-3-4-12(10(2)13(9)15)14-7-11-5-6-16-8-11/h3-6,8,14-15H,7H2,1-2H3.
What are the key properties of 3-(furan-3-ylmethylamino)-2,6-dimethylphenol?
3-(furan-3-ylmethylamino)-2,6-dimethylphenol has a molecular weight of 217.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)-2,6-dimethylphenol is sourced from PubChem (CID 63204508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).