(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine

C9H15NO2 — CID 130739107

IUPAC(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cc(C)oc1C
InChIInChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(10)5-11-3/h4,9H,5,10H2,1-3H3/t9-/m1/s1
InChIKeyJMYHJTSOHXGHFD-SECBINFHSA-N
MW169.22 g/mol
LogP1.54
Rot. Bonds3

About (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine

(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine (PubChem CID 130739107) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
PubChem CID130739107
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cc(C)oc1C
InChIInChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(10)5-11-3/h4,9H,5,10H2,1-3H3/t9-/m1/s1
InChIKeyJMYHJTSOHXGHFD-SECBINFHSA-N
XLogP1.54
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
CID 115819722
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
(2,5-dimethylfuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43464205
2-methoxy-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 82416167
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine (CID 130739107) is (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine is COC[C@@H](N)c1cc(C)oc1C.
What is the InChIKey of (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine?
The InChIKey is JMYHJTSOHXGHFD-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(10)5-11-3/h4,9H,5,10H2,1-3H3/t9-/m1/s1.
What are the key properties of (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine?
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine has a molecular weight of 169.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine is sourced from PubChem (CID 130739107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).