3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine

C12H21NO3 — CID 62565573

IUPAC3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOCc1ccco1
InChIInChI=1S/C12H21NO3/c1-2-14-8-4-6-13-7-10-15-11-12-5-3-9-16-12/h3,5,9,13H,2,4,6-8,10-11H2,1H3
InChIKeyTWIBIFAELNMOMS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.81
Rot. Bonds10

About 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine (PubChem CID 62565573) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
PubChem CID62565573
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOCc1ccco1
InChIInChI=1S/C12H21NO3/c1-2-14-8-4-6-13-7-10-15-11-12-5-3-9-16-12/h3,5,9,13H,2,4,6-8,10-11H2,1H3
InChIKeyTWIBIFAELNMOMS-UHFFFAOYSA-N
XLogP1.81
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
CID 62577779
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
CID 81411518
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
butane;ethane;2-(ethoxymethyl)furan
CID 143895142

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine (CID 62565573) is 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine is CCOCCCNCCOCc1ccco1.
What is the InChIKey of 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine?
The InChIKey is TWIBIFAELNMOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-14-8-4-6-13-7-10-15-11-12-5-3-9-16-12/h3,5,9,13H,2,4,6-8,10-11H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62565573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).