1,2-diphenylethylazanium chloride

C14H16ClN — CID 26481

IUPAC1,2-diphenylethylazanium chloride
SMILES[Cl-].[NH3+]C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N.ClH/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10,14H,11,15H2;1H
InChIKeyHIRAKLKRABLDCV-UHFFFAOYSA-N
MW233.74 g/mol
LogP-0.78
Rot. Bonds3

About 1,2-diphenylethylazanium chloride

1,2-diphenylethylazanium chloride (PubChem CID 26481) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 1,2-diphenylethylazanium chloride.

Molecular Properties

Compound Name1,2-diphenylethylazanium chloride
PubChem CID26481
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name1,2-diphenylethylazanium chloride
SMILES[Cl-].[NH3+]C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N.ClH/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10,14H,11,15H2;1H
InChIKeyHIRAKLKRABLDCV-UHFFFAOYSA-N
XLogP-0.78
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethylazanium chloride?
The IUPAC name of 1,2-diphenylethylazanium chloride (CID 26481) is 1,2-diphenylethylazanium chloride.
What is the SMILES notation for 1,2-diphenylethylazanium chloride?
The canonical SMILES for 1,2-diphenylethylazanium chloride is [Cl-].[NH3+]C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethylazanium chloride?
The InChIKey is HIRAKLKRABLDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.ClH/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10,14H,11,15H2;1H.
What are the key properties of 1,2-diphenylethylazanium chloride?
1,2-diphenylethylazanium chloride has a molecular weight of 233.74 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethylazanium chloride is sourced from PubChem (CID 26481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).