1,2,3-triphenylpropan-2-ylazanium chloride

C21H22ClN — CID 21496963

IUPAC1,2,3-triphenylpropan-2-ylazanium chloride
SMILES[Cl-].[NH3+]C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N.ClH/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19;/h1-15H,16-17,22H2;1H
InChIKeyPHZMMDGTDRBROH-UHFFFAOYSA-N
MW323.87 g/mol
LogP0.61
Rot. Bonds5

About 1,2,3-triphenylpropan-2-ylazanium chloride

1,2,3-triphenylpropan-2-ylazanium chloride (PubChem CID 21496963) has the molecular formula C21H22ClN and a molecular weight of 323.87 g/mol. Its IUPAC name is 1,2,3-triphenylpropan-2-ylazanium chloride.

Molecular Properties

Compound Name1,2,3-triphenylpropan-2-ylazanium chloride
PubChem CID21496963
Molecular FormulaC21H22ClN
Molecular Weight323.87 g/mol
Exact Mass323.14
IUPAC Name1,2,3-triphenylpropan-2-ylazanium chloride
SMILES[Cl-].[NH3+]C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N.ClH/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19;/h1-15H,16-17,22H2;1H
InChIKeyPHZMMDGTDRBROH-UHFFFAOYSA-N
XLogP0.61
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1,2,3-triphenylpropan-2-ylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenylpropan-2-ylazanium chloride?
The IUPAC name of 1,2,3-triphenylpropan-2-ylazanium chloride (CID 21496963) is 1,2,3-triphenylpropan-2-ylazanium chloride.
What is the SMILES notation for 1,2,3-triphenylpropan-2-ylazanium chloride?
The canonical SMILES for 1,2,3-triphenylpropan-2-ylazanium chloride is [Cl-].[NH3+]C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,3-triphenylpropan-2-ylazanium chloride?
The InChIKey is PHZMMDGTDRBROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.ClH/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19;/h1-15H,16-17,22H2;1H.
What are the key properties of 1,2,3-triphenylpropan-2-ylazanium chloride?
1,2,3-triphenylpropan-2-ylazanium chloride has a molecular weight of 323.87 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenylpropan-2-ylazanium chloride is sourced from PubChem (CID 21496963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).