N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine

C12H15NOS — CID 65104639

IUPACN-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1csc(C)c1
InChIInChI=1S/C12H15NOS/c1-3-13-12(10-4-5-14-7-10)11-6-9(2)15-8-11/h4-8,12-13H,3H2,1-2H3
InChIKeyKOKDHMGTUYSAIG-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.35
Rot. Bonds4

About N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine

N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 65104639) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID65104639
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1csc(C)c1
InChIInChI=1S/C12H15NOS/c1-3-13-12(10-4-5-14-7-10)11-6-9(2)15-8-11/h4-8,12-13H,3H2,1-2H3
InChIKeyKOKDHMGTUYSAIG-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine (CID 65104639) is N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1csc(C)c1.
What is the InChIKey of N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is KOKDHMGTUYSAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-13-12(10-4-5-14-7-10)11-6-9(2)15-8-11/h4-8,12-13H,3H2,1-2H3.
What are the key properties of N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine?
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 65104639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).