2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol

C14H17NO3 — CID 99793382

IUPAC2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol
SMILESOCCN(Cc1ccc(CO)o1)c1ccccc1
InChIInChI=1S/C14H17NO3/c16-9-8-15(12-4-2-1-3-5-12)10-13-6-7-14(11-17)18-13/h1-7,16-17H,8-11H2
InChIKeyWUWXEZCBXAQBLI-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.77
Rot. Bonds6

About 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol

2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol (PubChem CID 99793382) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol
PubChem CID99793382
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol
SMILESOCCN(Cc1ccc(CO)o1)c1ccccc1
InChIInChI=1S/C14H17NO3/c16-9-8-15(12-4-2-1-3-5-12)10-13-6-7-14(11-17)18-13/h1-7,16-17H,8-11H2
InChIKeyWUWXEZCBXAQBLI-UHFFFAOYSA-N
XLogP1.77
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol?
The IUPAC name of 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol (CID 99793382) is 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol?
The canonical SMILES for 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol is OCCN(Cc1ccc(CO)o1)c1ccccc1.
What is the InChIKey of 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol?
The InChIKey is WUWXEZCBXAQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-9-8-15(12-4-2-1-3-5-12)10-13-6-7-14(11-17)18-13/h1-7,16-17H,8-11H2.
What are the key properties of 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol?
2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol has a molecular weight of 247.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[[5-(hydroxymethyl)furan-2-yl]methyl]anilino]ethanol is sourced from PubChem (CID 99793382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).