[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine

C15H27NO2 — CID 62457753

IUPAC[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine
SMILESCCCCC(CC)COCc1cc(CN)c(C)o1
InChIInChI=1S/C15H27NO2/c1-4-6-7-13(5-2)10-17-11-15-8-14(9-16)12(3)18-15/h8,13H,4-7,9-11,16H2,1-3H3
InChIKeyQLZUDICFSSLBQH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.78
Rot. Bonds9

About [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine

[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine (PubChem CID 62457753) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine
PubChem CID62457753
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine
SMILESCCCCC(CC)COCc1cc(CN)c(C)o1
InChIInChI=1S/C15H27NO2/c1-4-6-7-13(5-2)10-17-11-15-8-14(9-16)12(3)18-15/h8,13H,4-7,9-11,16H2,1-3H3
InChIKeyQLZUDICFSSLBQH-UHFFFAOYSA-N
XLogP3.78
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(1-ethoxypropan-2-yloxymethyl)-2-methylfuran-3-yl]methanamine
CID 103490707
7-(2-ethylhexoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260166
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 103285697
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
2-(2-ethylhexoxymethyl)-1,3-benzoxazol-6-amine
CID 79998624
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
4-(2-ethylhexoxymethyl)-3-fluorobenzonitrile
CID 43128128
[4-(2-ethylhexoxymethyl)-2-pyridinyl]hydrazine
CID 62464671
2-(2-ethylhexoxymethyl)-3-fluoroaniline
CID 63331598

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine (CID 62457753) is [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine is CCCCC(CC)COCc1cc(CN)c(C)o1.
What is the InChIKey of [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine?
The InChIKey is QLZUDICFSSLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-6-7-13(5-2)10-17-11-15-8-14(9-16)12(3)18-15/h8,13H,4-7,9-11,16H2,1-3H3.
What are the key properties of [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine?
[5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylhexoxymethyl)-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 62457753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).