2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride

C16H17ClN2 — CID 69323264

IUPAC2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H16N2.ClH/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12;/h1-9,18H,10-11,17H2;1H
InChIKeyDPSITKHJHPATDF-UHFFFAOYSA-N
MW272.78 g/mol
LogP-0.38
Rot. Bonds3

About 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride

2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride (PubChem CID 69323264) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride.

Molecular Properties

Compound Name2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
PubChem CID69323264
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
SMILES[Cl-].[NH3+]CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H16N2.ClH/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12;/h1-9,18H,10-11,17H2;1H
InChIKeyDPSITKHJHPATDF-UHFFFAOYSA-N
XLogP-0.38
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride?
The IUPAC name of 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride (CID 69323264) is 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride.
What is the SMILES notation for 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride?
The canonical SMILES for 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride is [Cl-].[NH3+]CCc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride?
The InChIKey is DPSITKHJHPATDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.ClH/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12;/h1-9,18H,10-11,17H2;1H.
What are the key properties of 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride?
2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride has a molecular weight of 272.78 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride is sourced from PubChem (CID 69323264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).