(4-benzyl-2,3-dimethylphenyl)azanium chloride

C15H18ClN — CID 21115446

IUPAC(4-benzyl-2,3-dimethylphenyl)azanium chloride
SMILESCc1c([NH3+])ccc(Cc2ccccc2)c1C.[Cl-]
InChIInChI=1S/C15H17N.ClH/c1-11-12(2)15(16)9-8-14(11)10-13-6-4-3-5-7-13;/h3-9H,10,16H2,1-2H3;1H
InChIKeyVQYRAWQPARFGQP-UHFFFAOYSA-N
MW247.77 g/mol
LogP-0.23
Rot. Bonds2

About (4-benzyl-2,3-dimethylphenyl)azanium chloride

(4-benzyl-2,3-dimethylphenyl)azanium chloride (PubChem CID 21115446) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is (4-benzyl-2,3-dimethylphenyl)azanium chloride.

Molecular Properties

Compound Name(4-benzyl-2,3-dimethylphenyl)azanium chloride
PubChem CID21115446
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name(4-benzyl-2,3-dimethylphenyl)azanium chloride
SMILESCc1c([NH3+])ccc(Cc2ccccc2)c1C.[Cl-]
InChIInChI=1S/C15H17N.ClH/c1-11-12(2)15(16)9-8-14(11)10-13-6-4-3-5-7-13;/h3-9H,10,16H2,1-2H3;1H
InChIKeyVQYRAWQPARFGQP-UHFFFAOYSA-N
XLogP-0.23
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride
CID 174975992
(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium
CID 174975993
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
4-benzyl-2-bromo-3-methylpyridine
CID 175801806
tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
CID 88962705
(3-amino-4-benzyl-2-methylphenyl)methanol
CID 70423661
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-2-chloro-3,4-dimethylbenzene
CID 141001175
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
4-benzyl-2,3-dimethylaniline;2,2,2-trifluoroacetic acid
CID 173031440
benzylbenzene;methoxymethane
CID 161110966

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2,3-dimethylphenyl)azanium chloride?
The IUPAC name of (4-benzyl-2,3-dimethylphenyl)azanium chloride (CID 21115446) is (4-benzyl-2,3-dimethylphenyl)azanium chloride.
What is the SMILES notation for (4-benzyl-2,3-dimethylphenyl)azanium chloride?
The canonical SMILES for (4-benzyl-2,3-dimethylphenyl)azanium chloride is Cc1c([NH3+])ccc(Cc2ccccc2)c1C.[Cl-].
What is the InChIKey of (4-benzyl-2,3-dimethylphenyl)azanium chloride?
The InChIKey is VQYRAWQPARFGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.ClH/c1-11-12(2)15(16)9-8-14(11)10-13-6-4-3-5-7-13;/h3-9H,10,16H2,1-2H3;1H.
What are the key properties of (4-benzyl-2,3-dimethylphenyl)azanium chloride?
(4-benzyl-2,3-dimethylphenyl)azanium chloride has a molecular weight of 247.77 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2,3-dimethylphenyl)azanium chloride is sourced from PubChem (CID 21115446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).