2,2-diphenylethyl(pentyl)azanium chloride

C19H26ClN — CID 70520335

IUPAC2,2-diphenylethyl(pentyl)azanium chloride
SMILESCCCCC[NH2+]CC(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H25N.ClH/c1-2-3-10-15-20-16-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h4-9,11-14,19-20H,2-3,10,15-16H2,1H3;1H
InChIKeyGHHUDRHPJFLABG-UHFFFAOYSA-N
MW303.88 g/mol
LogP0.58
Rot. Bonds8

About 2,2-diphenylethyl(pentyl)azanium chloride

2,2-diphenylethyl(pentyl)azanium chloride (PubChem CID 70520335) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 2,2-diphenylethyl(pentyl)azanium chloride.

Molecular Properties

Compound Name2,2-diphenylethyl(pentyl)azanium chloride
PubChem CID70520335
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name2,2-diphenylethyl(pentyl)azanium chloride
SMILESCCCCC[NH2+]CC(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H25N.ClH/c1-2-3-10-15-20-16-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h4-9,11-14,19-20H,2-3,10,15-16H2,1H3;1H
InChIKeyGHHUDRHPJFLABG-UHFFFAOYSA-N
XLogP0.58
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-diphenylpropyl(hexyl)azanium hydroxide
CID 70585030
benzhydryl(octadecyl)azanium chloride
CID 88728255
benzhydryl(octyl)azanium chloride
CID 88728655
octadecyl(2-phenylethyl)azanium chloride
CID 21249615
[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride
CID 24936125
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-pentoxypropylbenzene
CID 57033372
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
(2-butylsulfonyl-1-phenylethyl)benzene
CID 58218103
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
decyl(phenoxy)azanium chloride
CID 142634787

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethyl(pentyl)azanium chloride?
The IUPAC name of 2,2-diphenylethyl(pentyl)azanium chloride (CID 70520335) is 2,2-diphenylethyl(pentyl)azanium chloride.
What is the SMILES notation for 2,2-diphenylethyl(pentyl)azanium chloride?
The canonical SMILES for 2,2-diphenylethyl(pentyl)azanium chloride is CCCCC[NH2+]CC(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2,2-diphenylethyl(pentyl)azanium chloride?
The InChIKey is GHHUDRHPJFLABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.ClH/c1-2-3-10-15-20-16-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h4-9,11-14,19-20H,2-3,10,15-16H2,1H3;1H.
What are the key properties of 2,2-diphenylethyl(pentyl)azanium chloride?
2,2-diphenylethyl(pentyl)azanium chloride has a molecular weight of 303.88 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethyl(pentyl)azanium chloride is sourced from PubChem (CID 70520335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).