N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine

C12H15NOS — CID 43488095

IUPACN-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1ccc(C)s1
InChIInChI=1S/C12H15NOS/c1-3-13-12(10-6-7-14-8-10)11-5-4-9(2)15-11/h4-8,12-13H,3H2,1-2H3
InChIKeyJVFUAEFLGFHNRB-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.35
Rot. Bonds4

About N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine

N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488095) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43488095
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1ccc(C)s1
InChIInChI=1S/C12H15NOS/c1-3-13-12(10-6-7-14-8-10)11-5-4-9(2)15-11/h4-8,12-13H,3H2,1-2H3
InChIKeyJVFUAEFLGFHNRB-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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Related Compounds

N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(3-methylfuran-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488099
3-[chloro-(5-methylthiophen-2-yl)methyl]furan
CID 61082359
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213
N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488129
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine (CID 43488095) is N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccoc1)c1ccc(C)s1.
What is the InChIKey of N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is JVFUAEFLGFHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-13-12(10-6-7-14-8-10)11-5-4-9(2)15-11/h4-8,12-13H,3H2,1-2H3.
What are the key properties of N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[furan-3-yl-(5-methylthiophen-2-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-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).