1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine

C15H16N2 — CID 143844840

IUPAC1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine
SMILESC/C(=N\c1ccncc1C)c1cccc(C)c1
InChIInChI=1S/C15H16N2/c1-11-5-4-6-14(9-11)13(3)17-15-7-8-16-10-12(15)2/h4-10H,1-3H3/b17-13+
InChIKeyPQHITOFNJGEQHY-GHRIWEEISA-N
MW224.31 g/mol
LogP3.84
Rot. Bonds2

About 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine

1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine (PubChem CID 143844840) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine
PubChem CID143844840
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine
SMILESC/C(=N\c1ccncc1C)c1cccc(C)c1
InChIInChI=1S/C15H16N2/c1-11-5-4-6-14(9-11)13(3)17-15-7-8-16-10-12(15)2/h4-10H,1-3H3/b17-13+
InChIKeyPQHITOFNJGEQHY-GHRIWEEISA-N
XLogP3.84
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.84
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

ethane;formaldehyde;1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine;propan-2-one;1,4-xylene
CID 143845036
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806
bis(3-methyl-4-pyridinyl)diazene
CID 13430055
N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310
1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143516
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
CID 66624966
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
1-(2,6-dichlorophenyl)-N-(2,4-dimethylphenyl)ethanimine
CID 143659682

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine?
The IUPAC name of 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine (CID 143844840) is 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine.
What is the SMILES notation for 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine?
The canonical SMILES for 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine is C/C(=N\c1ccncc1C)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine?
The InChIKey is PQHITOFNJGEQHY-GHRIWEEISA-N. The full InChI is InChI=1S/C15H16N2/c1-11-5-4-6-14(9-11)13(3)17-15-7-8-16-10-12(15)2/h4-10H,1-3H3/b17-13+.
What are the key properties of 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine?
1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine has a molecular weight of 224.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(3-methyl-4-pyridinyl)ethanimine is sourced from PubChem (CID 143844840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).