N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine

C18H17BrN2 — CID 15470605

IUPACN-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine
SMILESCN1CCC(c2ccccc2)=C/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2/c1-21-12-11-15(14-5-3-2-4-6-14)13-18(21)20-17-9-7-16(19)8-10-17/h2-10,13H,11-12H2,1H3/b20-18+
InChIKeyWEKWZBAHJYRNQZ-CZIZESTLSA-N
MW341.25 g/mol
LogP4.90
Rot. Bonds2

About N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine

N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine (PubChem CID 15470605) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine
PubChem CID15470605
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine
SMILESCN1CCC(c2ccccc2)=C/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2/c1-21-12-11-15(14-5-3-2-4-6-14)13-18(21)20-17-9-7-16(19)8-10-17/h2-10,13H,11-12H2,1H3/b20-18+
InChIKeyWEKWZBAHJYRNQZ-CZIZESTLSA-N
XLogP4.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.90
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-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine?
The IUPAC name of N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine (CID 15470605) is N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine.
What is the SMILES notation for N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine?
The canonical SMILES for N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine is CN1CCC(c2ccccc2)=C/C1=N\c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine?
The InChIKey is WEKWZBAHJYRNQZ-CZIZESTLSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-21-12-11-15(14-5-3-2-4-6-14)13-18(21)20-17-9-7-16(19)8-10-17/h2-10,13H,11-12H2,1H3/b20-18+.
What are the key properties of N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine?
N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine has a molecular weight of 341.25 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-methyl-4-phenyl-2,3-dihydropyridin-6-imine is sourced from PubChem (CID 15470605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).