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

C10H17NO2 — CID 105177800

IUPAC4-ethoxy-1-(furan-3-yl)butan-2-amine
SMILESCCOCCC(N)Cc1ccoc1
InChIInChI=1S/C10H17NO2/c1-2-12-6-4-10(11)7-9-3-5-13-8-9/h3,5,8,10H,2,4,6-7,11H2,1H3
InChIKeyKEFPQWYVVOECJL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds6

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

4-ethoxy-1-(furan-3-yl)butan-2-amine (PubChem CID 105177800) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-ethoxy-1-(furan-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(furan-3-yl)butan-2-amine
PubChem CID105177800
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-ethoxy-1-(furan-3-yl)butan-2-amine
SMILESCCOCCC(N)Cc1ccoc1
InChIInChI=1S/C10H17NO2/c1-2-12-6-4-10(11)7-9-3-5-13-8-9/h3,5,8,10H,2,4,6-7,11H2,1H3
InChIKeyKEFPQWYVVOECJL-UHFFFAOYSA-N
XLogP1.58
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
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

4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(furan-3-yl)octan-2-amine
CID 105029979
5-ethoxy-1-(furan-3-yl)pentan-2-ol
CID 105123168
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
4-(2-amino-4-ethoxybutyl)pyridin-2-amine
CID 106815067
3-(ethoxymethyl)furan
CID 59154839
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
1-(furan-3-yl)-3-methylhexan-2-amine
CID 105029905
1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
CID 105177799
N-ethyl-1-(furan-3-yl)-4-methoxybutan-2-amine
CID 83176013
1-(furan-3-yl)-3-methoxyhexan-2-amine
CID 116718509
4-cyclohexyl-1-(furan-3-yl)butan-2-amine
CID 105029745

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(furan-3-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-1-(furan-3-yl)butan-2-amine (CID 105177800) is 4-ethoxy-1-(furan-3-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(furan-3-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-1-(furan-3-yl)butan-2-amine is CCOCCC(N)Cc1ccoc1.
What is the InChIKey of 4-ethoxy-1-(furan-3-yl)butan-2-amine?
The InChIKey is KEFPQWYVVOECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-12-6-4-10(11)7-9-3-5-13-8-9/h3,5,8,10H,2,4,6-7,11H2,1H3.
What are the key properties of 4-ethoxy-1-(furan-3-yl)butan-2-amine?
4-ethoxy-1-(furan-3-yl)butan-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(furan-3-yl)butan-2-amine is sourced from PubChem (CID 105177800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).