2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine

C16H18N2S — CID 2049804

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCc1cccs1
InChIInChI=1S/C16H18N2S/c1-12-14(15-6-2-3-7-16(15)18-12)8-9-17-11-13-5-4-10-19-13/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyWOXRCIZWECJOQA-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 2049804) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID2049804
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCc1cccs1
InChIInChI=1S/C16H18N2S/c1-12-14(15-6-2-3-7-16(15)18-12)8-9-17-11-13-5-4-10-19-13/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyWOXRCIZWECJOQA-UHFFFAOYSA-N
XLogP3.87
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 2049804) is 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine is Cc1[nH]c2ccccc2c1CCNCc1cccs1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is WOXRCIZWECJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-12-14(15-6-2-3-7-16(15)18-12)8-9-17-11-13-5-4-10-19-13/h2-7,10,17-18H,8-9,11H2,1H3.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 270.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 2049804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).