N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine

C13H23NO3 — CID 62444510

IUPACN-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCOCC
InChIInChI=1S/C13H23NO3/c1-3-6-14-10-13-12(5-7-17-13)11-16-9-8-15-4-2/h5,7,14H,3-4,6,8-11H2,1-2H3
InChIKeyMDECVPKCSVXPTL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds10

About N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62444510) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62444510
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COCCOCC
InChIInChI=1S/C13H23NO3/c1-3-6-14-10-13-12(5-7-17-13)11-16-9-8-15-4-2/h5,7,14H,3-4,6,8-11H2,1-2H3
InChIKeyMDECVPKCSVXPTL-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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

N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63498079
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62444510) is N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COCCOCC.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is MDECVPKCSVXPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-6-14-10-13-12(5-7-17-13)11-16-9-8-15-4-2/h5,7,14H,3-4,6,8-11H2,1-2H3.
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62444510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).