(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride

C22H22ClN — CID 5351937

IUPAC(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride
SMILESCl.[H]/N=C(/c1cc(C)ccc1C)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H21N.ClH/c1-16-12-13-17(2)21(14-16)22(23)20-11-7-6-10-19(20)15-18-8-4-3-5-9-18;/h3-14,23H,15H2,1-2H3;1H/b23-22+;
InChIKeyRMNPDFCSFVPFKZ-PGCQSHBKSA-N
MW335.88 g/mol
LogP5.73
Rot. Bonds4

About (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride

(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride (PubChem CID 5351937) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride.

Molecular Properties

Compound Name(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride
PubChem CID5351937
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride
SMILESCl.[H]/N=C(/c1cc(C)ccc1C)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H21N.ClH/c1-16-12-13-17(2)21(14-16)22(23)20-11-7-6-10-19(20)15-18-8-4-3-5-9-18;/h3-14,23H,15H2,1-2H3;1H/b23-22+;
InChIKeyRMNPDFCSFVPFKZ-PGCQSHBKSA-N
XLogP5.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride?
The IUPAC name of (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride (CID 5351937) is (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride.
What is the SMILES notation for (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride?
The canonical SMILES for (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride is Cl.[H]/N=C(/c1cc(C)ccc1C)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride?
The InChIKey is RMNPDFCSFVPFKZ-PGCQSHBKSA-N. The full InChI is InChI=1S/C22H21N.ClH/c1-16-12-13-17(2)21(14-16)22(23)20-11-7-6-10-19(20)15-18-8-4-3-5-9-18;/h3-14,23H,15H2,1-2H3;1H/b23-22+;.
What are the key properties of (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride?
(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride is sourced from PubChem (CID 5351937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).