1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine

C18H19NOS — CID 64621206

IUPAC1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
SMILESCNC(CSCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H19NOS/c1-19-16(13-21-12-14-7-3-2-4-8-14)18-11-15-9-5-6-10-17(15)20-18/h2-11,16,19H,12-13H2,1H3
InChIKeyDUFIKIRCFLPKPD-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.63
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine

1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine (PubChem CID 64621206) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
PubChem CID64621206
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
SMILESCNC(CSCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H19NOS/c1-19-16(13-21-12-14-7-3-2-4-8-14)18-11-15-9-5-6-10-17(15)20-18/h2-11,16,19H,12-13H2,1H3
InChIKeyDUFIKIRCFLPKPD-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784125
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 64631060
1-(1-benzofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylethanamine
CID 64626414
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine (CID 64621206) is 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine is CNC(CSCc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine?
The InChIKey is DUFIKIRCFLPKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-16(13-21-12-14-7-3-2-4-8-14)18-11-15-9-5-6-10-17(15)20-18/h2-11,16,19H,12-13H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine is sourced from PubChem (CID 64621206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).