2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol

C15H19NO2 — CID 43515341

IUPAC2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCCc2ccco2)c1
InChIInChI=1S/C15H19NO2/c1-11-5-6-15(17)14(10-11)12(2)16-8-7-13-4-3-9-18-13/h3-6,9-10,12,16-17H,7-8H2,1-2H3
InChIKeyZMBABNJTVLAUIS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol

2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol (PubChem CID 43515341) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol
PubChem CID43515341
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)NCCc2ccco2)c1
InChIInChI=1S/C15H19NO2/c1-11-5-6-15(17)14(10-11)12(2)16-8-7-13-4-3-9-18-13/h3-6,9-10,12,16-17H,7-8H2,1-2H3
InChIKeyZMBABNJTVLAUIS-UHFFFAOYSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515385
1-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515502
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol (CID 43515341) is 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)NCCc2ccco2)c1.
What is the InChIKey of 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol?
The InChIKey is ZMBABNJTVLAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-5-6-15(17)14(10-11)12(2)16-8-7-13-4-3-9-18-13/h3-6,9-10,12,16-17H,7-8H2,1-2H3.
What are the key properties of 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol?
2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol has a molecular weight of 245.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol is sourced from PubChem (CID 43515341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).