azane;1-benzyl-2,3-dimethylbenzene;hydrochloride

C15H20ClN — CID 174867327

IUPACazane;1-benzyl-2,3-dimethylbenzene;hydrochloride
SMILESCc1cccc(Cc2ccccc2)c1C.Cl.N
InChIInChI=1S/C15H16.ClH.H3N/c1-12-7-6-10-15(13(12)2)11-14-8-4-3-5-9-14;;/h3-10H,11H2,1-2H3;1H;1H3
InChIKeyUHVBHDVQHCETLR-UHFFFAOYSA-N
MW249.79 g/mol
LogP4.48
Rot. Bonds2

About azane;1-benzyl-2,3-dimethylbenzene;hydrochloride

azane;1-benzyl-2,3-dimethylbenzene;hydrochloride (PubChem CID 174867327) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is azane;1-benzyl-2,3-dimethylbenzene;hydrochloride.

Molecular Properties

Compound Nameazane;1-benzyl-2,3-dimethylbenzene;hydrochloride
PubChem CID174867327
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Nameazane;1-benzyl-2,3-dimethylbenzene;hydrochloride
SMILESCc1cccc(Cc2ccccc2)c1C.Cl.N
InChIInChI=1S/C15H16.ClH.H3N/c1-12-7-6-10-15(13(12)2)11-14-8-4-3-5-9-14;;/h3-10H,11H2,1-2H3;1H;1H3
InChIKeyUHVBHDVQHCETLR-UHFFFAOYSA-N
XLogP4.48
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-2-chloro-3,4-dimethylbenzene
CID 141001175
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
CID 88962705
1-benzyl-2,3-dipropylbenzene
CID 22920914
azane;(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium;chloride;hydrochloride
CID 174975992
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine
CID 134887764

Frequently Asked Questions

What is the IUPAC name of azane;1-benzyl-2,3-dimethylbenzene;hydrochloride?
The IUPAC name of azane;1-benzyl-2,3-dimethylbenzene;hydrochloride (CID 174867327) is azane;1-benzyl-2,3-dimethylbenzene;hydrochloride.
What is the SMILES notation for azane;1-benzyl-2,3-dimethylbenzene;hydrochloride?
The canonical SMILES for azane;1-benzyl-2,3-dimethylbenzene;hydrochloride is Cc1cccc(Cc2ccccc2)c1C.Cl.N.
What is the InChIKey of azane;1-benzyl-2,3-dimethylbenzene;hydrochloride?
The InChIKey is UHVBHDVQHCETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.ClH.H3N/c1-12-7-6-10-15(13(12)2)11-14-8-4-3-5-9-14;;/h3-10H,11H2,1-2H3;1H;1H3.
What are the key properties of azane;1-benzyl-2,3-dimethylbenzene;hydrochloride?
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-benzyl-2,3-dimethylbenzene;hydrochloride is sourced from PubChem (CID 174867327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).