1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine

C17H21N3 — CID 80633144

IUPAC1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1N1CCc2ccccc21
InChIInChI=1S/C17H21N3/c1-12-9-14(10-13(2)18)11-19-17(12)20-8-7-15-5-3-4-6-16(15)20/h3-6,9,11,13H,7-8,10,18H2,1-2H3
InChIKeyRRGDBJKHFLDFKX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.97
Rot. Bonds3

About 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine

1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80633144) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80633144
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1N1CCc2ccccc21
InChIInChI=1S/C17H21N3/c1-12-9-14(10-13(2)18)11-19-17(12)20-8-7-15-5-3-4-6-16(15)20/h3-6,9,11,13H,7-8,10,18H2,1-2H3
InChIKeyRRGDBJKHFLDFKX-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80638539
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633070
(S)-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]-phenylmethanol
CID 124501657
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
[5-methyl-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanol
CID 80628620
3-[5-(chloromethyl)-3-methyl-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 80628870
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
1-[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634619
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501642
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634863
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4-methyl-2,3-dihydroquinoxaline
CID 107083734
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
CID 102545068

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine (CID 80633144) is 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1N1CCc2ccccc21.
What is the InChIKey of 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is RRGDBJKHFLDFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-9-14(10-13(2)18)11-19-17(12)20-8-7-15-5-3-4-6-16(15)20/h3-6,9,11,13H,7-8,10,18H2,1-2H3.
What are the key properties of 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80633144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).