2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine

C12H19NO2 — CID 115866078

IUPAC2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
SMILESCCOC(C)CNC/C=C/c1ccco1
InChIInChI=1S/C12H19NO2/c1-3-14-11(2)10-13-8-4-6-12-7-5-9-15-12/h4-7,9,11,13H,3,8,10H2,1-2H3/b6-4+
InChIKeyIOLQFXFOTAVMFF-GQCTYLIASA-N
MW209.29 g/mol
LogP2.31
Rot. Bonds7

About 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine

2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine (PubChem CID 115866078) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
PubChem CID115866078
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
SMILESCCOC(C)CNC/C=C/c1ccco1
InChIInChI=1S/C12H19NO2/c1-3-14-11(2)10-13-8-4-6-12-7-5-9-15-12/h4-7,9,11,13H,3,8,10H2,1-2H3/b6-4+
InChIKeyIOLQFXFOTAVMFF-GQCTYLIASA-N
XLogP2.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.31
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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Related Compounds

(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
CID 115866050

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine (CID 115866078) is 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine is CCOC(C)CNC/C=C/c1ccco1.
What is the InChIKey of 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
The InChIKey is IOLQFXFOTAVMFF-GQCTYLIASA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-14-11(2)10-13-8-4-6-12-7-5-9-15-12/h4-7,9,11,13H,3,8,10H2,1-2H3/b6-4+.
What are the key properties of 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine?
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine is sourced from PubChem (CID 115866078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).