2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol

C14H19NO3 — CID 3431204

IUPAC2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)Cc2ccc(C)o2)o1
InChIInChI=1S/C14H19NO3/c1-11-3-5-13(17-11)9-15(7-8-16)10-14-6-4-12(2)18-14/h3-6,16H,7-10H2,1-2H3
InChIKeyIXKAJFWCCPHEKY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.48
Rot. Bonds6

About 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol

2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol (PubChem CID 3431204) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol
PubChem CID3431204
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)Cc2ccc(C)o2)o1
InChIInChI=1S/C14H19NO3/c1-11-3-5-13(17-11)9-15(7-8-16)10-14-6-4-12(2)18-14/h3-6,16H,7-10H2,1-2H3
InChIKeyIXKAJFWCCPHEKY-UHFFFAOYSA-N
XLogP2.48
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
5-Methylfurtrethonium
CID 4141
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
N-Methylfurfurylamine
CID 78492
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
1-Furfurylpyrrolidine
CID 3768984
N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine
CID 4597757
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5217129
2-Furanmethanamine, 5,5'-(1,3-propanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071772
2-Furanmethanamine, 5,5'-(1,4-butanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071773
2-Furanmethanamine, 5,5'-(1,5-pentanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071774

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol (CID 3431204) is 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol is Cc1ccc(CN(CCO)Cc2ccc(C)o2)o1.
What is the InChIKey of 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol?
The InChIKey is IXKAJFWCCPHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-3-5-13(17-11)9-15(7-8-16)10-14-6-4-12(2)18-14/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol?
2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol has a molecular weight of 249.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(5-methylfuran-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 3431204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).