benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride

C17H22ClN — CID 141267902

IUPACbenzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride
SMILESCc1ccccc1C(C)(C)[NH2+]Cc1ccccc1.[Cl-]
InChIInChI=1S/C17H21N.ClH/c1-14-9-7-8-12-16(14)17(2,3)18-13-15-10-5-4-6-11-15;/h4-12,18H,13H2,1-3H3;1H
InChIKeyVKIWGSCJPRQOSV-UHFFFAOYSA-N
MW275.82 g/mol
LogP-0.00
Rot. Bonds4

About benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride

benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride (PubChem CID 141267902) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride.

Molecular Properties

Compound Namebenzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride
PubChem CID141267902
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Namebenzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride
SMILESCc1ccccc1C(C)(C)[NH2+]Cc1ccccc1.[Cl-]
InChIInChI=1S/C17H21N.ClH/c1-14-9-7-8-12-16(14)17(2,3)18-13-15-10-5-4-6-11-15;/h4-12,18H,13H2,1-3H3;1H
InChIKeyVKIWGSCJPRQOSV-UHFFFAOYSA-N
XLogP-0.00
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride?
The IUPAC name of benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride (CID 141267902) is benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride.
What is the SMILES notation for benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride?
The canonical SMILES for benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride is Cc1ccccc1C(C)(C)[NH2+]Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride?
The InChIKey is VKIWGSCJPRQOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-14-9-7-8-12-16(14)17(2,3)18-13-15-10-5-4-6-11-15;/h4-12,18H,13H2,1-3H3;1H.
What are the key properties of benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride?
benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride has a molecular weight of 275.82 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(2-methylphenyl)propan-2-yl]azanium chloride is sourced from PubChem (CID 141267902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).