1,3-diphenylpropan-2-ylazanium chloride

C15H18ClN — CID 67842912

IUPAC1,3-diphenylpropan-2-ylazanium chloride
SMILES[Cl-].[NH3+]C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17N.ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKeySNTFEJUFBPIDON-UHFFFAOYSA-N
MW247.77 g/mol
LogP-0.91
Rot. Bonds4

About 1,3-diphenylpropan-2-ylazanium chloride

1,3-diphenylpropan-2-ylazanium chloride (PubChem CID 67842912) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-ylazanium chloride.

Molecular Properties

Compound Name1,3-diphenylpropan-2-ylazanium chloride
PubChem CID67842912
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name1,3-diphenylpropan-2-ylazanium chloride
SMILES[Cl-].[NH3+]C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17N.ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H
InChIKeySNTFEJUFBPIDON-UHFFFAOYSA-N
XLogP-0.91
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
CID 140963970
1,3-diphenylpropan-2-ylsilane
CID 123615026
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
CID 162451826
(3-hydroxy-4-phenylbutyl)azanium chloride
CID 141211751
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
2-iodobutylbenzene
CID 11196235
[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]azanium chloride
CID 10515061
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
ethane;2-methylpropylbenzene
CID 162200929
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047
[3,3,3-trifluoro-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 71651377

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-ylazanium chloride?
The IUPAC name of 1,3-diphenylpropan-2-ylazanium chloride (CID 67842912) is 1,3-diphenylpropan-2-ylazanium chloride.
What is the SMILES notation for 1,3-diphenylpropan-2-ylazanium chloride?
The canonical SMILES for 1,3-diphenylpropan-2-ylazanium chloride is [Cl-].[NH3+]C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-ylazanium chloride?
The InChIKey is SNTFEJUFBPIDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10,15H,11-12,16H2;1H.
What are the key properties of 1,3-diphenylpropan-2-ylazanium chloride?
1,3-diphenylpropan-2-ylazanium chloride has a molecular weight of 247.77 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-ylazanium chloride is sourced from PubChem (CID 67842912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).