(1S)-1-(furan-2-yl)ethanamine

C6H9NO — CID 7047669

IUPAC(1S)-1-(furan-2-yl)ethanamine
SMILESC[C@H](N)c1ccco1
InChIInChI=1S/C6H9NO/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1
InChIKeyJYXGCMLOKDKUAX-YFKPBYRVSA-N
MW111.14 g/mol
LogP1.30
Rot. Bonds1

About (1S)-1-(furan-2-yl)ethanamine

(1S)-1-(furan-2-yl)ethanamine (PubChem CID 7047669) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)ethanamine
PubChem CID7047669
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(1S)-1-(furan-2-yl)ethanamine
SMILESC[C@H](N)c1ccco1
InChIInChI=1S/C6H9NO/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1
InChIKeyJYXGCMLOKDKUAX-YFKPBYRVSA-N
XLogP1.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)ethanamine (CID 7047669) is (1S)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)ethanamine is C[C@H](N)c1ccco1.
What is the InChIKey of (1S)-1-(furan-2-yl)ethanamine?
The InChIKey is JYXGCMLOKDKUAX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)ethanamine?
(1S)-1-(furan-2-yl)ethanamine has a molecular weight of 111.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 7047669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).