N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine

C20H17ClN2 — CID 138741590

IUPACN-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine
SMILESC=Nc1nc(-c2ccc(-c3ccccc3C)cc2)c(Cl)cc1C
InChIInChI=1S/C20H17ClN2/c1-13-6-4-5-7-17(13)15-8-10-16(11-9-15)19-18(21)12-14(2)20(22-3)23-19/h4-12H,3H2,1-2H3
InChIKeyHSVMJQFPMGXSTL-UHFFFAOYSA-N
MW320.82 g/mol
LogP6.02
Rot. Bonds3

About N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine

N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine (PubChem CID 138741590) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine
PubChem CID138741590
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC NameN-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine
SMILESC=Nc1nc(-c2ccc(-c3ccccc3C)cc2)c(Cl)cc1C
InChIInChI=1S/C20H17ClN2/c1-13-6-4-5-7-17(13)15-8-10-16(11-9-15)19-18(21)12-14(2)20(22-3)23-19/h4-12H,3H2,1-2H3
InChIKeyHSVMJQFPMGXSTL-UHFFFAOYSA-N
XLogP6.02
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
1-(1-chloroethenyl)-4-(2-methylphenyl)benzene
CID 156825612
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
7-chloro-5-(2-methylphenyl)-1H-indazole
CID 171662369
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine?
The IUPAC name of N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine (CID 138741590) is N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine is C=Nc1nc(-c2ccc(-c3ccccc3C)cc2)c(Cl)cc1C.
What is the InChIKey of N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine?
The InChIKey is HSVMJQFPMGXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2/c1-13-6-4-5-7-17(13)15-8-10-16(11-9-15)19-18(21)12-14(2)20(22-3)23-19/h4-12H,3H2,1-2H3.
What are the key properties of N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine?
N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine has a molecular weight of 320.82 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-methyl-6-[4-(2-methylphenyl)phenyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 138741590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).