2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine

C15H15Cl2N3 — CID 63235981

IUPAC2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(c2ncc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C15H15Cl2N3/c16-11-7-13(17)15(19-8-11)20-9-10(5-6-18)12-3-1-2-4-14(12)20/h1-4,7-8,10H,5-6,9,18H2
InChIKeyFQORSOXEPWPUCW-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.97
Rot. Bonds3

About 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63235981) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63235981
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(c2ncc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C15H15Cl2N3/c16-11-7-13(17)15(19-8-11)20-9-10(5-6-18)12-3-1-2-4-14(12)20/h1-4,7-8,10H,5-6,9,18H2
InChIKeyFQORSOXEPWPUCW-UHFFFAOYSA-N
XLogP3.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine (CID 63235981) is 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine is NCCC1CN(c2ncc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is FQORSOXEPWPUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-11-7-13(17)15(19-8-11)20-9-10(5-6-18)12-3-1-2-4-14(12)20/h1-4,7-8,10H,5-6,9,18H2.
What are the key properties of 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 308.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichloro-2-pyridinyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).