2-[(5-methylfuran-2-yl)methylamino]ethanol

C8H13NO2 — CID 3154446

IUPAC2-[(5-methylfuran-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCCO)o1
InChIInChI=1S/C8H13NO2/c1-7-2-3-8(11-7)6-9-4-5-10/h2-3,9-10H,4-6H2,1H3
InChIKeyHIZNEGARRMKWNB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.67
Rot. Bonds4

About 2-[(5-methylfuran-2-yl)methylamino]ethanol

2-[(5-methylfuran-2-yl)methylamino]ethanol (PubChem CID 3154446) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylamino]ethanol
PubChem CID3154446
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[(5-methylfuran-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCCO)o1
InChIInChI=1S/C8H13NO2/c1-7-2-3-8(11-7)6-9-4-5-10/h2-3,9-10H,4-6H2,1H3
InChIKeyHIZNEGARRMKWNB-UHFFFAOYSA-N
XLogP0.67
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
5-Methylfurtrethonium
CID 4141
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Furfurylamphetamine
CID 18116
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
[(Furan-2-yl)methyl]urea
CID 587724
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-(2-Furoyl)glycine methyl ester
CID 518748
N-Methylfurfurylamine
CID 78492
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]ethanol (CID 3154446) is 2-[(5-methylfuran-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylamino]ethanol is Cc1ccc(CNCCO)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylamino]ethanol?
The InChIKey is HIZNEGARRMKWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-2-3-8(11-7)6-9-4-5-10/h2-3,9-10H,4-6H2,1H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methylamino]ethanol?
2-[(5-methylfuran-2-yl)methylamino]ethanol has a molecular weight of 155.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylamino]ethanol is sourced from PubChem (CID 3154446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).