2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C17H20N2S — CID 62562311

IUPAC2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCn2c(C)cc3ccccc32)s1
InChIInChI=1S/C17H20N2S/c1-13-11-15-5-3-4-6-17(15)19(13)10-9-18-12-16-8-7-14(2)20-16/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyZLKAFROVLUJJKB-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62562311) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62562311
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCn2c(C)cc3ccccc32)s1
InChIInChI=1S/C17H20N2S/c1-13-11-15-5-3-4-6-17(15)19(13)10-9-18-12-16-8-7-14(2)20-16/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyZLKAFROVLUJJKB-UHFFFAOYSA-N
XLogP4.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 62562311) is 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNCCn2c(C)cc3ccccc32)s1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is ZLKAFROVLUJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-13-11-15-5-3-4-6-17(15)19(13)10-9-18-12-16-8-7-14(2)20-16/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 284.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62562311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).