1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine

C15H19NO2S — CID 55092504

IUPAC1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
SMILESCOc1ccccc1SCCNC(C)c1ccco1
InChIInChI=1S/C15H19NO2S/c1-12(13-7-5-10-18-13)16-9-11-19-15-8-4-3-6-14(15)17-2/h3-8,10,12,16H,9,11H2,1-2H3
InChIKeyZFSVLGJNTPUQQU-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.73
Rot. Bonds7

About 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine

1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine (PubChem CID 55092504) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
PubChem CID55092504
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
SMILESCOc1ccccc1SCCNC(C)c1ccco1
InChIInChI=1S/C15H19NO2S/c1-12(13-7-5-10-18-13)16-9-11-19-15-8-4-3-6-14(15)17-2/h3-8,10,12,16H,9,11H2,1-2H3
InChIKeyZFSVLGJNTPUQQU-UHFFFAOYSA-N
XLogP3.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578864
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447
1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62579783
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 62582277
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
1-(furan-2-yl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55091940
1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 115383688
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81402863
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
CID 64628326
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine (CID 55092504) is 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine is COc1ccccc1SCCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine?
The InChIKey is ZFSVLGJNTPUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12(13-7-5-10-18-13)16-9-11-19-15-8-4-3-6-14(15)17-2/h3-8,10,12,16H,9,11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine?
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine is sourced from PubChem (CID 55092504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).