N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine

C13H23NO3 — CID 113260923

IUPACN-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNC(C)c1ccoc1
InChIInChI=1S/C13H23NO3/c1-12(13-5-8-17-11-13)14-6-3-4-7-16-10-9-15-2/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyMIWATSJHNIVGEC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.37
Rot. Bonds10

About N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine

N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 113260923) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
PubChem CID113260923
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNC(C)c1ccoc1
InChIInChI=1S/C13H23NO3/c1-12(13-5-8-17-11-13)14-6-3-4-7-16-10-9-15-2/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyMIWATSJHNIVGEC-UHFFFAOYSA-N
XLogP2.37
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115879210
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine (CID 113260923) is N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine is COCCOCCCCNC(C)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is MIWATSJHNIVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(13-5-8-17-11-13)14-6-3-4-7-16-10-9-15-2/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 113260923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).