N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine

C14H17NOS — CID 115855604

IUPACN-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(SC)cc1)c1ccoc1
InChIInChI=1S/C14H17NOS/c1-3-15-14(12-8-9-16-10-12)11-4-6-13(17-2)7-5-11/h4-10,14-15H,3H2,1-2H3
InChIKeyFMYLMWISJBDXRT-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.70
Rot. Bonds5

About N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine

N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 115855604) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
PubChem CID115855604
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(SC)cc1)c1ccoc1
InChIInChI=1S/C14H17NOS/c1-3-15-14(12-8-9-16-10-12)11-4-6-13(17-2)7-5-11/h4-10,14-15H,3H2,1-2H3
InChIKeyFMYLMWISJBDXRT-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302725
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
N-[(3-bromo-4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79747602
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[furan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360300
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 79212673
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66065314
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-(4-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine (CID 115855604) is N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine is CCNC(c1ccc(SC)cc1)c1ccoc1.
What is the InChIKey of N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is FMYLMWISJBDXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-15-14(12-8-9-16-10-12)11-4-6-13(17-2)7-5-11/h4-10,14-15H,3H2,1-2H3.
What are the key properties of N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine?
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 115855604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).