(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine

C13H17NOS — CID 79985063

IUPAC(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cc(C)oc1C
InChIInChI=1S/C13H17NOS/c1-4-10-5-6-16-13(10)12(14)11-7-8(2)15-9(11)3/h5-7,12H,4,14H2,1-3H3
InChIKeyJZWKOGREUCHUJV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.57
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine

(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine (PubChem CID 79985063) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine
PubChem CID79985063
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cc(C)oc1C
InChIInChI=1S/C13H17NOS/c1-4-10-5-6-16-13(10)12(14)11-7-8(2)15-9(11)3/h5-7,12H,4,14H2,1-3H3
InChIKeyJZWKOGREUCHUJV-UHFFFAOYSA-N
XLogP3.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine (CID 79985063) is (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine is CCc1ccsc1C(N)c1cc(C)oc1C.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine?
The InChIKey is JZWKOGREUCHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-4-10-5-6-16-13(10)12(14)11-7-8(2)15-9(11)3/h5-7,12H,4,14H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine?
(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 79985063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).