2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol

C9H15NO3 — CID 12655820

IUPAC2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
SMILESCOCc1ccc(CNCCO)o1
InChIInChI=1S/C9H15NO3/c1-12-7-9-3-2-8(13-9)6-10-4-5-11/h2-3,10-11H,4-7H2,1H3
InChIKeyNRWOXCMCFSDWIU-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.51
Rot. Bonds6

About 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol

2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol (PubChem CID 12655820) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
PubChem CID12655820
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
SMILESCOCc1ccc(CNCCO)o1
InChIInChI=1S/C9H15NO3/c1-12-7-9-3-2-8(13-9)6-10-4-5-11/h2-3,10-11H,4-7H2,1H3
InChIKeyNRWOXCMCFSDWIU-UHFFFAOYSA-N
XLogP0.51
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol?
The IUPAC name of 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol (CID 12655820) is 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol?
The canonical SMILES for 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol is COCc1ccc(CNCCO)o1.
What is the InChIKey of 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol?
The InChIKey is NRWOXCMCFSDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-7-9-3-2-8(13-9)6-10-4-5-11/h2-3,10-11H,4-7H2,1H3.
What are the key properties of 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol?
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol has a molecular weight of 185.22 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol is sourced from PubChem (CID 12655820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).