N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

C21H23BrN2 — CID 50866339

IUPACN-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3ccc(Br)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H23BrN2/c1-5-24-20-11-6-16(12-19(20)15(2)13-21(24,3)4)14-23-18-9-7-17(22)8-10-18/h6-14H,5H2,1-4H3/b23-14+
InChIKeyAGCIYUVEWGQIDP-OEAKJJBVSA-N
MW383.33 g/mol
LogP6.22
Rot. Bonds3

About N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50866339) has the molecular formula C21H23BrN2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50866339
Molecular FormulaC21H23BrN2
Molecular Weight383.33 g/mol
Exact Mass382.10
IUPAC NameN-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3ccc(Br)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H23BrN2/c1-5-24-20-11-6-16(12-19(20)15(2)13-21(24,3)4)14-23-18-9-7-17(22)8-10-18/h6-14H,5H2,1-4H3/b23-14+
InChIKeyAGCIYUVEWGQIDP-OEAKJJBVSA-N
XLogP6.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 56.22
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

N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866447
4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline
CID 50866323
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866316
N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 3832411
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50866348
2-bromo-N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 133170826
(5Z)-1-(4-bromo-2-methylphenyl)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50866435
(5E)-1-(4-bromo-2-methylphenyl)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 99888157
(E)-N-(4-bromophenyl)-2-cyano-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)prop-2-enamide
CID 50866063
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50866339) is N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2ccc(/C=N/c3ccc(Br)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is AGCIYUVEWGQIDP-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H23BrN2/c1-5-24-20-11-6-16(12-19(20)15(2)13-21(24,3)4)14-23-18-9-7-17(22)8-10-18/h6-14H,5H2,1-4H3/b23-14+.
What are the key properties of N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 383.33 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50866339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).