2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine

C16H20N2S — CID 63235084

IUPAC2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESCc1ccsc1CN1CC(CCN)c2ccccc21
InChIInChI=1S/C16H20N2S/c1-12-7-9-19-16(12)11-18-10-13(6-8-17)14-4-2-3-5-15(14)18/h2-5,7,9,13H,6,8,10-11,17H2,1H3
InChIKeyBOKTUAQTWMHWKU-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.51
Rot. Bonds4

About 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine

2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63235084) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63235084
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESCc1ccsc1CN1CC(CCN)c2ccccc21
InChIInChI=1S/C16H20N2S/c1-12-7-9-19-16(12)11-18-10-13(6-8-17)14-4-2-3-5-15(14)18/h2-5,7,9,13H,6,8,10-11,17H2,1H3
InChIKeyBOKTUAQTWMHWKU-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-iodophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 65477648
2-[1-(2-methoxyethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235883
2-[1-(2-methylprop-2-enyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235614
2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235465
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 63235664
2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine
CID 66043826
4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylbutanenitrile
CID 65251141
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235168
2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 83233282
2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235578
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
CID 79619646

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine (CID 63235084) is 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine is Cc1ccsc1CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is BOKTUAQTWMHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-7-9-19-16(12)11-18-10-13(6-8-17)14-4-2-3-5-15(14)18/h2-5,7,9,13H,6,8,10-11,17H2,1H3.
What are the key properties of 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63235084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).