N-benzhydryl-1-(3,5-dimethylphenyl)methanimine

C22H21N — CID 101050684

IUPACN-benzhydryl-1-(3,5-dimethylphenyl)methanimine
SMILESCc1cc(C)cc(/C=N/C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21N/c1-17-13-18(2)15-19(14-17)16-23-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22H,1-2H3/b23-16+
InChIKeyBXTVKROWRYZUIT-XQNSMLJCSA-N
MW299.42 g/mol
LogP5.51
Rot. Bonds4

About N-benzhydryl-1-(3,5-dimethylphenyl)methanimine

N-benzhydryl-1-(3,5-dimethylphenyl)methanimine (PubChem CID 101050684) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is N-benzhydryl-1-(3,5-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(3,5-dimethylphenyl)methanimine
PubChem CID101050684
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC NameN-benzhydryl-1-(3,5-dimethylphenyl)methanimine
SMILESCc1cc(C)cc(/C=N/C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21N/c1-17-13-18(2)15-19(14-17)16-23-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22H,1-2H3/b23-16+
InChIKeyBXTVKROWRYZUIT-XQNSMLJCSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
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 N-benzhydryl-1-(3,5-dimethylphenyl)methanimine?
The IUPAC name of N-benzhydryl-1-(3,5-dimethylphenyl)methanimine (CID 101050684) is N-benzhydryl-1-(3,5-dimethylphenyl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(3,5-dimethylphenyl)methanimine?
The canonical SMILES for N-benzhydryl-1-(3,5-dimethylphenyl)methanimine is Cc1cc(C)cc(/C=N/C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-1-(3,5-dimethylphenyl)methanimine?
The InChIKey is BXTVKROWRYZUIT-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H21N/c1-17-13-18(2)15-19(14-17)16-23-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22H,1-2H3/b23-16+.
What are the key properties of N-benzhydryl-1-(3,5-dimethylphenyl)methanimine?
N-benzhydryl-1-(3,5-dimethylphenyl)methanimine has a molecular weight of 299.42 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(3,5-dimethylphenyl)methanimine is sourced from PubChem (CID 101050684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).