2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine

C17H21N3 — CID 63236194

IUPAC2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(CCc2ccccn2)c2ccccc21
InChIInChI=1S/C17H21N3/c18-10-8-14-13-20(17-7-2-1-6-16(14)17)12-9-15-5-3-4-11-19-15/h1-7,11,14H,8-10,12-13,18H2
InChIKeyRXMUEANVHDSWDE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.58
Rot. Bonds5

About 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63236194) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63236194
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(CCc2ccccn2)c2ccccc21
InChIInChI=1S/C17H21N3/c18-10-8-14-13-20(17-7-2-1-6-16(14)17)12-9-15-5-3-4-11-19-15/h1-7,11,14H,8-10,12-13,18H2
InChIKeyRXMUEANVHDSWDE-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylbutanenitrile
CID 65251141
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide
CID 63235838
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 63235622
2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235084
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
CID 79619646
(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 125482012
propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
CID 63235879
1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one
CID 104601207
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763018
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine (CID 63236194) is 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine is NCCC1CN(CCc2ccccn2)c2ccccc21.
What is the InChIKey of 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is RXMUEANVHDSWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-10-8-14-13-20(17-7-2-1-6-16(14)17)12-9-15-5-3-4-11-19-15/h1-7,11,14H,8-10,12-13,18H2.
What are the key properties of 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63236194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).