2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine

C18H20N2OS — CID 69121119

IUPAC2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
SMILESCOc1ccc2c(Sc3ccc(C)cc3CCN)c[nH]c2c1
InChIInChI=1S/C18H20N2OS/c1-12-3-6-17(13(9-12)7-8-19)22-18-11-20-16-10-14(21-2)4-5-15(16)18/h3-6,9-11,20H,7-8,19H2,1-2H3
InChIKeyMREVMUGIWVSHFM-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.14
Rot. Bonds5

About 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine

2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine (PubChem CID 69121119) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
PubChem CID69121119
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
SMILESCOc1ccc2c(Sc3ccc(C)cc3CCN)c[nH]c2c1
InChIInChI=1S/C18H20N2OS/c1-12-3-6-17(13(9-12)7-8-19)22-18-11-20-16-10-14(21-2)4-5-15(16)18/h3-6,9-11,20H,7-8,19H2,1-2H3
InChIKeyMREVMUGIWVSHFM-UHFFFAOYSA-N
XLogP4.14
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine (CID 69121119) is 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine is COc1ccc2c(Sc3ccc(C)cc3CCN)c[nH]c2c1.
What is the InChIKey of 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
The InChIKey is MREVMUGIWVSHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-12-3-6-17(13(9-12)7-8-19)22-18-11-20-16-10-14(21-2)4-5-15(16)18/h3-6,9-11,20H,7-8,19H2,1-2H3.
What are the key properties of 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine is sourced from PubChem (CID 69121119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).