2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C18H22N2S — CID 63502619

IUPAC2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCc1cccc2ccn(CCNCc3ccc(C)s3)c12
InChIInChI=1S/C18H22N2S/c1-3-15-5-4-6-16-9-11-20(18(15)16)12-10-19-13-17-8-7-14(2)21-17/h4-9,11,19H,3,10,12-13H2,1-2H3
InChIKeyAJVCIDIZOWRQQE-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.36
Rot. Bonds6

About 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 63502619) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID63502619
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCc1cccc2ccn(CCNCc3ccc(C)s3)c12
InChIInChI=1S/C18H22N2S/c1-3-15-5-4-6-16-9-11-20(18(15)16)12-10-19-13-17-8-7-14(2)21-17/h4-9,11,19H,3,10,12-13H2,1-2H3
InChIKeyAJVCIDIZOWRQQE-UHFFFAOYSA-N
XLogP4.36
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.36
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-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 63502619) is 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is CCc1cccc2ccn(CCNCc3ccc(C)s3)c12.
What is the InChIKey of 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is AJVCIDIZOWRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-3-15-5-4-6-16-9-11-20(18(15)16)12-10-19-13-17-8-7-14(2)21-17/h4-9,11,19H,3,10,12-13H2,1-2H3.
What are the key properties of 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 298.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethylindol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63502619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).