N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine

C14H17NOS — CID 107783272

IUPACN-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccoc2C)cc1
InChIInChI=1S/C14H17NOS/c1-3-15-10-12-4-6-13(7-5-12)17-14-8-9-16-11(14)2/h4-9,15H,3,10H2,1-2H3
InChIKeyBBNSZOJOHLKZOY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.85
Rot. Bonds5

About N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine

N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine (PubChem CID 107783272) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
PubChem CID107783272
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccoc2C)cc1
InChIInChI=1S/C14H17NOS/c1-3-15-10-12-4-6-13(7-5-12)17-14-8-9-16-11(14)2/h4-9,15H,3,10H2,1-2H3
InChIKeyBBNSZOJOHLKZOY-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine (CID 107783272) is N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccc(Sc2ccoc2C)cc1.
What is the InChIKey of N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is BBNSZOJOHLKZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-15-10-12-4-6-13(7-5-12)17-14-8-9-16-11(14)2/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 107783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).