N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine

C13H23NO2 — CID 102987125

IUPACN-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCCC(C)OCc1ccoc1CNCC
InChIInChI=1S/C13H23NO2/c1-4-6-11(3)16-10-12-7-8-15-13(12)9-14-5-2/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyMYFNHOISNHQWHL-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.09
Rot. Bonds8

About N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine

N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 102987125) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID102987125
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCCC(C)OCc1ccoc1CNCC
InChIInChI=1S/C13H23NO2/c1-4-6-11(3)16-10-12-7-8-15-13(12)9-14-5-2/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyMYFNHOISNHQWHL-UHFFFAOYSA-N
XLogP3.09
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
CID 106887200
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[2-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 103490484
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 81341598
N-[[3-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451814

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine (CID 102987125) is N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine is CCCC(C)OCc1ccoc1CNCC.
What is the InChIKey of N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is MYFNHOISNHQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-6-11(3)16-10-12-7-8-15-13(12)9-14-5-2/h7-8,11,14H,4-6,9-10H2,1-3H3.
What are the key properties of N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine?
N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 102987125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).