3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine

C11H19NO3 — CID 44720293

IUPAC3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine
SMILESCc1ccc(COCCOCCCN)o1
InChIInChI=1S/C11H19NO3/c1-10-3-4-11(15-10)9-14-8-7-13-6-2-5-12/h3-4H,2,5-9,12H2,1H3
InChIKeySLBNJAJARBIGAM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.47
Rot. Bonds8

About 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine

3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine (PubChem CID 44720293) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine
PubChem CID44720293
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine
SMILESCc1ccc(COCCOCCCN)o1
InChIInChI=1S/C11H19NO3/c1-10-3-4-11(15-10)9-14-8-7-13-6-2-5-12/h3-4H,2,5-9,12H2,1H3
InChIKeySLBNJAJARBIGAM-UHFFFAOYSA-N
XLogP1.47
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.47
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

2-methyl-5-(octoxymethyl)furan
CID 21314380
3-[[5-(2-methylphenyl)furan-2-yl]methoxy]propan-1-amine
CID 112518463
3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine
CID 112518464
ethoxyethane;2-(ethoxymethyl)-5-methylfuran
CID 118958545
3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
CID 112519724
2-[4-[(5-methylfuran-2-yl)methoxy]phenyl]ethanamine
CID 65362370
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
N-methyl-2-[(5-methylfuran-2-yl)methoxy]acetohydrazide
CID 116845409
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
N-[(5-methylfuran-2-yl)methoxy]methanamine
CID 117126795
[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol
CID 104564733
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine (CID 44720293) is 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine is Cc1ccc(COCCOCCCN)o1.
What is the InChIKey of 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine?
The InChIKey is SLBNJAJARBIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10-3-4-11(15-10)9-14-8-7-13-6-2-5-12/h3-4H,2,5-9,12H2,1H3.
What are the key properties of 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine?
3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 44720293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).