2-ethoxy-1-(5-methylfuran-2-yl)ethanamine

C9H15NO2 — CID 16793106

IUPAC2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
SMILESCCOCC(N)c1ccc(C)o1
InChIInChI=1S/C9H15NO2/c1-3-11-6-8(10)9-5-4-7(2)12-9/h4-5,8H,3,6,10H2,1-2H3
InChIKeyVPYSMOCVXVUKBS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.62
Rot. Bonds4

About 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine

2-ethoxy-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 16793106) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
PubChem CID16793106
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
SMILESCCOCC(N)c1ccc(C)o1
InChIInChI=1S/C9H15NO2/c1-3-11-6-8(10)9-5-4-7(2)12-9/h4-5,8H,3,6,10H2,1-2H3
InChIKeyVPYSMOCVXVUKBS-UHFFFAOYSA-N
XLogP1.62
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
CID 114874408
2-(2-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16795378
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
2-(3-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16784253

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine (CID 16793106) is 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine is CCOCC(N)c1ccc(C)o1.
What is the InChIKey of 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is VPYSMOCVXVUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-11-6-8(10)9-5-4-7(2)12-9/h4-5,8H,3,6,10H2,1-2H3.
What are the key properties of 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine?
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 169.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 16793106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).