[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine

C12H21NO3 — CID 112589909

IUPAC[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
SMILESCC(C)(C)OCCOCc1ccoc1CN
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-7-6-14-9-10-4-5-15-11(10)8-13/h4-5H,6-9,13H2,1-3H3
InChIKeyWNVJXNIRZXDQNH-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.07
Rot. Bonds6

About [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine

[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine (PubChem CID 112589909) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
PubChem CID112589909
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
SMILESCC(C)(C)OCCOCc1ccoc1CN
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-7-6-14-9-10-4-5-15-11(10)8-13/h4-5H,6-9,13H2,1-3H3
InChIKeyWNVJXNIRZXDQNH-UHFFFAOYSA-N
XLogP2.07
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine?
The IUPAC name of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine (CID 112589909) is [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine is CC(C)(C)OCCOCc1ccoc1CN.
What is the InChIKey of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine?
The InChIKey is WNVJXNIRZXDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-7-6-14-9-10-4-5-15-11(10)8-13/h4-5H,6-9,13H2,1-3H3.
What are the key properties of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine?
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine has a molecular weight of 227.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 112589909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).