(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride

C16H20ClN — CID 110174053

IUPAC(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
SMILESCC([NH3+])(Cc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C16H19N.ClH/c1-16(17,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;/h2-11H,12-13,17H2,1H3;1H
InChIKeyBGXJDEAUEFTNIY-UHFFFAOYSA-N
MW261.80 g/mol
LogP-0.52
Rot. Bonds4

About (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride

(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride (PubChem CID 110174053) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
PubChem CID110174053
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
SMILESCC([NH3+])(Cc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C16H19N.ClH/c1-16(17,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;/h2-11H,12-13,17H2,1H3;1H
InChIKeyBGXJDEAUEFTNIY-UHFFFAOYSA-N
XLogP-0.52
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride?
The IUPAC name of (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride (CID 110174053) is (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride.
What is the SMILES notation for (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride?
The canonical SMILES for (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride is CC([NH3+])(Cc1ccccc1)Cc1ccccc1.[Cl-].
What is the InChIKey of (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride?
The InChIKey is BGXJDEAUEFTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.ClH/c1-16(17,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;/h2-11H,12-13,17H2,1H3;1H.
What are the key properties of (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride?
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride has a molecular weight of 261.80 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-diphenylpropan-2-yl)azanium chloride is sourced from PubChem (CID 110174053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).