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

C17H19ClN2 — CID 63235465

IUPAC2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H19ClN2/c18-15-5-3-4-13(10-15)11-20-12-14(8-9-19)16-6-1-2-7-17(16)20/h1-7,10,14H,8-9,11-12,19H2
InChIKeyWIJXBJZHQPMDMI-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.79
Rot. Bonds4

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

2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 63235465) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
PubChem CID63235465
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
SMILESNCCC1CN(Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H19ClN2/c18-15-5-3-4-13(10-15)11-20-12-14(8-9-19)16-6-1-2-7-17(16)20/h1-7,10,14H,8-9,11-12,19H2
InChIKeyWIJXBJZHQPMDMI-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine (CID 63235465) is 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is NCCC1CN(Cc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is WIJXBJZHQPMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-5-3-4-13(10-15)11-20-12-14(8-9-19)16-6-1-2-7-17(16)20/h1-7,10,14H,8-9,11-12,19H2.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine?
2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 286.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 63235465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).