3,3-diphenylpropyl(1-phenylethyl)azanium chloride

C23H26ClN — CID 26154

IUPAC3,3-diphenylpropyl(1-phenylethyl)azanium chloride
SMILESCC([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H
InChIKeyNJXWZWXCHBNOOG-UHFFFAOYSA-N
MW351.92 g/mol
LogP1.54
Rot. Bonds7

About 3,3-diphenylpropyl(1-phenylethyl)azanium chloride

3,3-diphenylpropyl(1-phenylethyl)azanium chloride (PubChem CID 26154) has the molecular formula C23H26ClN and a molecular weight of 351.92 g/mol. Its IUPAC name is 3,3-diphenylpropyl(1-phenylethyl)azanium chloride.

Molecular Properties

Compound Name3,3-diphenylpropyl(1-phenylethyl)azanium chloride
PubChem CID26154
Molecular FormulaC23H26ClN
Molecular Weight351.92 g/mol
Exact Mass351.18
IUPAC Name3,3-diphenylpropyl(1-phenylethyl)azanium chloride
SMILESCC([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H
InChIKeyNJXWZWXCHBNOOG-UHFFFAOYSA-N
XLogP1.54
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylpropyl(1-phenylethyl)azanium chloride?
The IUPAC name of 3,3-diphenylpropyl(1-phenylethyl)azanium chloride (CID 26154) is 3,3-diphenylpropyl(1-phenylethyl)azanium chloride.
What is the SMILES notation for 3,3-diphenylpropyl(1-phenylethyl)azanium chloride?
The canonical SMILES for 3,3-diphenylpropyl(1-phenylethyl)azanium chloride is CC([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 3,3-diphenylpropyl(1-phenylethyl)azanium chloride?
The InChIKey is NJXWZWXCHBNOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H.
What are the key properties of 3,3-diphenylpropyl(1-phenylethyl)azanium chloride?
3,3-diphenylpropyl(1-phenylethyl)azanium chloride has a molecular weight of 351.92 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylpropyl(1-phenylethyl)azanium chloride is sourced from PubChem (CID 26154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).