N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine

C12H21NO2 — CID 105055011

IUPACN-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
SMILESCCNC(CCCOC)c1coc(C)c1
InChIInChI=1S/C12H21NO2/c1-4-13-12(6-5-7-14-3)11-8-10(2)15-9-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyMCQWGHSLJIAZQY-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine

N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine (PubChem CID 105055011) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
PubChem CID105055011
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
SMILESCCNC(CCCOC)c1coc(C)c1
InChIInChI=1S/C12H21NO2/c1-4-13-12(6-5-7-14-3)11-8-10(2)15-9-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyMCQWGHSLJIAZQY-UHFFFAOYSA-N
XLogP2.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.67
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-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
CID 115831656
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine
CID 115859443
2-ethoxy-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105008082
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751
1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
CID 112754827
N-ethyl-1-(5-methylfuran-3-yl)pent-3-yn-1-amine
CID 115819808
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819986
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine (CID 105055011) is N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine is CCNC(CCCOC)c1coc(C)c1.
What is the InChIKey of N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine?
The InChIKey is MCQWGHSLJIAZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-13-12(6-5-7-14-3)11-8-10(2)15-9-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine?
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 105055011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).