4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine

C12H21NO2 — CID 105177818

IUPAC4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
SMILESCCNC(CCOCC)Cc1ccoc1
InChIInChI=1S/C12H21NO2/c1-3-13-12(6-8-14-4-2)9-11-5-7-15-10-11/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyZGIYHGDLSOWGIZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.23
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine

4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine (PubChem CID 105177818) 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-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
PubChem CID105177818
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
SMILESCCNC(CCOCC)Cc1ccoc1
InChIInChI=1S/C12H21NO2/c1-3-13-12(6-8-14-4-2)9-11-5-7-15-10-11/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyZGIYHGDLSOWGIZ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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)-4-methoxybutan-2-amine
CID 83176013
4-ethoxy-1-(furan-3-yl)butan-2-amine
CID 105177800
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
CID 105029887
5-ethoxy-1-(furan-3-yl)pentan-2-ol
CID 105123168
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
[4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-yl]hydrazine
CID 103151764
1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105174695

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine (CID 105177818) is 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine is CCNC(CCOCC)Cc1ccoc1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine?
The InChIKey is ZGIYHGDLSOWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13-12(6-8-14-4-2)9-11-5-7-15-10-11/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine?
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.23, 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-2-amine is sourced from PubChem (CID 105177818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).