[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine

C11H19NO3 — CID 62457289

IUPAC[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
SMILESCC(C)OCCOCc1occc1CN
InChIInChI=1S/C11H19NO3/c1-9(2)14-6-5-13-8-11-10(7-12)3-4-15-11/h3-4,9H,5-8,12H2,1-2H3
InChIKeyXCTREGSYROJGIO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.68
Rot. Bonds7

About [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine

[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine (PubChem CID 62457289) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
PubChem CID62457289
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
SMILESCC(C)OCCOCc1occc1CN
InChIInChI=1S/C11H19NO3/c1-9(2)14-6-5-13-8-11-10(7-12)3-4-15-11/h3-4,9H,5-8,12H2,1-2H3
InChIKeyXCTREGSYROJGIO-UHFFFAOYSA-N
XLogP1.68
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.68
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-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
[2-(but-3-enoxymethyl)furan-3-yl]methanamine
CID 62440746
[2-[(3-methoxy-3-methylbutoxy)methyl]furan-3-yl]methanamine
CID 106667874
[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558122
[2-(2,2-difluoroethoxymethyl)furan-3-yl]methanamine
CID 82006755
[2-(2-methylpropyl)furan-3-yl]methanamine
CID 82416814
[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine
CID 62456003
2,3-bis(propoxymethyl)furan
CID 141282327
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
CID 112589909
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419080

Frequently Asked Questions

What is the IUPAC name of [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine (CID 62457289) is [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine is CC(C)OCCOCc1occc1CN.
What is the InChIKey of [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine?
The InChIKey is XCTREGSYROJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)14-6-5-13-8-11-10(7-12)3-4-15-11/h3-4,9H,5-8,12H2,1-2H3.
What are the key properties of [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine?
[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62457289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).