2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine

C13H23NO3 — CID 63619200

IUPAC2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
SMILESCCOC(CN(CC)Cc1ccco1)OCC
InChIInChI=1S/C13H23NO3/c1-4-14(10-12-8-7-9-17-12)11-13(15-5-2)16-6-3/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyHQUYLOPNTNTIMY-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.50
Rot. Bonds9

About 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine

2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine (PubChem CID 63619200) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
PubChem CID63619200
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
SMILESCCOC(CN(CC)Cc1ccco1)OCC
InChIInChI=1S/C13H23NO3/c1-4-14(10-12-8-7-9-17-12)11-13(15-5-2)16-6-3/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyHQUYLOPNTNTIMY-UHFFFAOYSA-N
XLogP2.50
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 63069854
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61423306
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 74226498
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine (CID 63619200) is 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine is CCOC(CN(CC)Cc1ccco1)OCC.
What is the InChIKey of 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is HQUYLOPNTNTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-14(10-12-8-7-9-17-12)11-13(15-5-2)16-6-3/h7-9,13H,4-6,10-11H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine?
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63619200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).