3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine

C11H19NO3 — CID 115710392

IUPAC3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCOCCCNCc1ccc(COC)o1
InChIInChI=1S/C11H19NO3/c1-13-7-3-6-12-8-10-4-5-11(15-10)9-14-2/h4-5,12H,3,6-9H2,1-2H3
InChIKeyOOFWEEYTRNODQJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds8

About 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine

3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 115710392) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID115710392
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCOCCCNCc1ccc(COC)o1
InChIInChI=1S/C11H19NO3/c1-13-7-3-6-12-8-10-4-5-11(15-10)9-14-2/h4-5,12H,3,6-9H2,1-2H3
InChIKeyOOFWEEYTRNODQJ-UHFFFAOYSA-N
XLogP1.55
TPSA43.63 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 ≤ 51.55
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-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
CID 115710395
N-[[5-(methoxymethyl)furan-2-yl]methyl]-4-methylpentan-1-amine
CID 115710483
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62436150
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 43771289
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 115710392) is 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine is COCCCNCc1ccc(COC)o1.
What is the InChIKey of 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is OOFWEEYTRNODQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-13-7-3-6-12-8-10-4-5-11(15-10)9-14-2/h4-5,12H,3,6-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine?
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 115710392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).