4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine

C12H21NO2 — CID 105146625

IUPAC4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
SMILESCCNC(CCCOCC)c1ccoc1
InChIInChI=1S/C12H21NO2/c1-3-13-12(6-5-8-14-4-2)11-7-9-15-10-11/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyKHUQRJFZNLYHBG-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.75
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine

4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine (PubChem CID 105146625) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
PubChem CID105146625
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
SMILESCCNC(CCCOCC)c1ccoc1
InChIInChI=1S/C12H21NO2/c1-3-13-12(6-5-8-14-4-2)11-7-9-15-10-11/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyKHUQRJFZNLYHBG-UHFFFAOYSA-N
XLogP2.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.75
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

N-ethyl-1-(furan-3-yl)-3-methoxypropan-1-amine
CID 63948181
N-ethyl-1-(furan-3-yl)-4-methoxypentan-1-amine
CID 105146658
N-ethyl-1-(furan-3-yl)-3-phenoxypropan-1-amine
CID 63948564
N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
CID 105146707
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine (CID 105146625) is 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine is CCNC(CCCOCC)c1ccoc1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine?
The InChIKey is KHUQRJFZNLYHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13-12(6-5-8-14-4-2)11-7-9-15-10-11/h7,9-10,12-13H,3-6,8H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine?
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine is sourced from PubChem (CID 105146625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).