N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine

C20H20N2 — CID 570449

IUPACN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine
SMILESCc1ccccc1Cn1ccc(=NCc2ccccc2)cc1
InChIInChI=1S/C20H20N2/c1-17-7-5-6-10-19(17)16-22-13-11-20(12-14-22)21-15-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3
InChIKeyFDLLMMBYVKWCAI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.95
Rot. Bonds4

About N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine

N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine (PubChem CID 570449) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine.

Molecular Properties

Compound NameN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine
PubChem CID570449
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine
SMILESCc1ccccc1Cn1ccc(=NCc2ccccc2)cc1
InChIInChI=1S/C20H20N2/c1-17-7-5-6-10-19(17)16-22-13-11-20(12-14-22)21-15-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3
InChIKeyFDLLMMBYVKWCAI-UHFFFAOYSA-N
XLogP3.95
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-N-(1-(2-methylbenzyl)-4(1H)-pyridinylidene)amine
CID 15945828
2-[(4-Benzylimino-1-pyridinyl)methyl]benzonitrile;hydrobromide
CID 2828866
2-[4-(Benzylimino)-1,4-dihydro-1-pyridylmethyl]benzonitrile
CID 575733
N,N-Dimethyl-2-benzylbenzenemethanamine
CID 1201690
1-benzyl-N-octylpyridin-4-imine;hydrochloride
CID 14576925
1-benzyl-N-dodecylpyridin-4-imine;hydrochloride
CID 14576927
1-benzyl-N-tetradecylpyridin-4-imine;hydrochloride
CID 14576929
n,n-Dimethyl-1-(2-methylphenyl)-1-phenylmethanamine
CID 219138
Cinnoline, 2,3-dihydro-2-[(2-methylphenyl)methyl]-
CID 368584
2-[(Dimethylamino)methyl]bibenzyl
CID 1201709
1-Benzyl-4-benzyliminopiperidine
CID 13860894
Methyl{1-[(2-methylphenyl)methyl](4-piperidyl)}benzylamine
CID 1530491

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine?
The IUPAC name of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine (CID 570449) is N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine.
What is the SMILES notation for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine?
The canonical SMILES for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine is Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine?
The InChIKey is FDLLMMBYVKWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-17-7-5-6-10-19(17)16-22-13-11-20(12-14-22)21-15-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3.
What are the key properties of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine?
N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine has a molecular weight of 288.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine is sourced from PubChem (CID 570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).