3-(furan-2-ylmethoxy)propan-1-amine

C8H13NO2 — CID 7130656

IUPAC3-(furan-2-ylmethoxy)propan-1-amine
SMILESNCCCOCc1ccco1
InChIInChI=1S/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6H,2,4-5,7,9H2
InChIKeyXIXUSXFSSJKRQZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.14
Rot. Bonds5

About 3-(furan-2-ylmethoxy)propan-1-amine

3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 7130656) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID7130656
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(furan-2-ylmethoxy)propan-1-amine
SMILESNCCCOCc1ccco1
InChIInChI=1S/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6H,2,4-5,7,9H2
InChIKeyXIXUSXFSSJKRQZ-UHFFFAOYSA-N
XLogP1.14
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of 3-(furan-2-ylmethoxy)propan-1-amine (CID 7130656) is 3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for 3-(furan-2-ylmethoxy)propan-1-amine is NCCCOCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is XIXUSXFSSJKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6H,2,4-5,7,9H2.
What are the key properties of 3-(furan-2-ylmethoxy)propan-1-amine?
3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 7130656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).