[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine

C12H21NO3 — CID 103490685

IUPAC[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine
SMILESCCOCC(C)OCc1cc(CN)oc1C
InChIInChI=1S/C12H21NO3/c1-4-14-7-9(2)15-8-11-5-12(6-13)16-10(11)3/h5,9H,4,6-8,13H2,1-3H3
InChIKeyVNTFVWYJLAGMMT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.99
Rot. Bonds7

About [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine

[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine (PubChem CID 103490685) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine
PubChem CID103490685
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine
SMILESCCOCC(C)OCc1cc(CN)oc1C
InChIInChI=1S/C12H21NO3/c1-4-14-7-9(2)15-8-11-5-12(6-13)16-10(11)3/h5,9H,4,6-8,13H2,1-3H3
InChIKeyVNTFVWYJLAGMMT-UHFFFAOYSA-N
XLogP1.99
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-ethoxypropan-2-yloxymethyl)-2-methylfuran-3-yl]methanamine
CID 103490707
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
CID 103487025
N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505780
[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455126
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113292
3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 62459344
[5-(aminomethyl)-2-methylfuran-3-yl]methanol
CID 82502468
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine (CID 103490685) is [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine is CCOCC(C)OCc1cc(CN)oc1C.
What is the InChIKey of [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine?
The InChIKey is VNTFVWYJLAGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-14-7-9(2)15-8-11-5-12(6-13)16-10(11)3/h5,9H,4,6-8,13H2,1-3H3.
What are the key properties of [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine?
[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine has a molecular weight of 227.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 103490685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).