2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine

C16H19N3O — CID 63591144

IUPAC2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCOc1cccc(N2CC(CCN)c3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-20-16-8-4-7-15(18-16)19-11-12(9-10-17)13-5-2-3-6-14(13)19/h2-8,12H,9-11,17H2,1H3
InChIKeyLBLRBECUEHABRR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63591144) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63591144
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCOc1cccc(N2CC(CCN)c3ccccc32)n1
InChIInChI=1S/C16H19N3O/c1-20-16-8-4-7-15(18-16)19-11-12(9-10-17)13-5-2-3-6-14(13)19/h2-8,12H,9-11,17H2,1H3
InChIKeyLBLRBECUEHABRR-UHFFFAOYSA-N
XLogP2.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine (CID 63591144) is 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine is COc1cccc(N2CC(CCN)c3ccccc32)n1.
What is the InChIKey of 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is LBLRBECUEHABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-16-8-4-7-15(18-16)19-11-12(9-10-17)13-5-2-3-6-14(13)19/h2-8,12H,9-11,17H2,1H3.
What are the key properties of 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63591144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).