4-(furan-3-ylmethylamino)-2,5-dimethylphenol

C13H15NO2 — CID 106954030

IUPAC4-(furan-3-ylmethylamino)-2,5-dimethylphenol
SMILESCc1cc(NCc2ccoc2)c(C)cc1O
InChIInChI=1S/C13H15NO2/c1-9-6-13(15)10(2)5-12(9)14-7-11-3-4-16-8-11/h3-6,8,14-15H,7H2,1-2H3
InChIKeyKAOCUVUETSILMY-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.21
Rot. Bonds3

About 4-(furan-3-ylmethylamino)-2,5-dimethylphenol

4-(furan-3-ylmethylamino)-2,5-dimethylphenol (PubChem CID 106954030) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(furan-3-ylmethylamino)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(furan-3-ylmethylamino)-2,5-dimethylphenol
PubChem CID106954030
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(furan-3-ylmethylamino)-2,5-dimethylphenol
SMILESCc1cc(NCc2ccoc2)c(C)cc1O
InChIInChI=1S/C13H15NO2/c1-9-6-13(15)10(2)5-12(9)14-7-11-3-4-16-8-11/h3-6,8,14-15H,7H2,1-2H3
InChIKeyKAOCUVUETSILMY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
3-(furan-3-ylmethylamino)-2,6-dimethylphenol
CID 63204508
4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylphenol
CID 106953607
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953697
N-(furan-3-ylmethyl)-2,6-dimethylaniline
CID 115749450
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
4-[(5-bromofuran-2-yl)methylamino]-2,5-dimethylphenol
CID 106953616
2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
CID 63203660
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethylamino)-2,5-dimethylphenol?
The IUPAC name of 4-(furan-3-ylmethylamino)-2,5-dimethylphenol (CID 106954030) is 4-(furan-3-ylmethylamino)-2,5-dimethylphenol.
What is the SMILES notation for 4-(furan-3-ylmethylamino)-2,5-dimethylphenol?
The canonical SMILES for 4-(furan-3-ylmethylamino)-2,5-dimethylphenol is Cc1cc(NCc2ccoc2)c(C)cc1O.
What is the InChIKey of 4-(furan-3-ylmethylamino)-2,5-dimethylphenol?
The InChIKey is KAOCUVUETSILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-6-13(15)10(2)5-12(9)14-7-11-3-4-16-8-11/h3-6,8,14-15H,7H2,1-2H3.
What are the key properties of 4-(furan-3-ylmethylamino)-2,5-dimethylphenol?
4-(furan-3-ylmethylamino)-2,5-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 4-(furan-3-ylmethylamino)-2,5-dimethylphenol is sourced from PubChem (CID 106954030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).