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

C12H15NOS — CID 106887386

IUPACN-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2csc(C)c2)o1
InChIInChI=1S/C12H15NOS/c1-3-13-7-11-4-5-12(14-11)10-6-9(2)15-8-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyVELKJFHFIWSPBX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.43
Rot. Bonds4

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

N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine (PubChem CID 106887386) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
PubChem CID106887386
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2csc(C)c2)o1
InChIInChI=1S/C12H15NOS/c1-3-13-7-11-4-5-12(14-11)10-6-9(2)15-8-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyVELKJFHFIWSPBX-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
CID 106888548
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887121
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
CID 107289734
N-[[4-methyl-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 105408935
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[5-(2,3,4,6-tetrachlorophenyl)furan-2-yl]methyl]ethanamine
CID 106889099

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine (CID 106887386) is N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2csc(C)c2)o1.
What is the InChIKey of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is VELKJFHFIWSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-13-7-11-4-5-12(14-11)10-6-9(2)15-8-10/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).