N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H24BrFN2 — CID 50859266

IUPACN-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1cc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)ccc1Br
InChIInChI=1S/C21H24BrFN2/c1-13-8-16(6-7-18(13)22)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-19(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyBMUMSJYNRJOPBL-WYMPLXKRSA-N
MW403.34 g/mol
LogP6.37
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859266) has the molecular formula C21H24BrFN2 and a molecular weight of 403.34 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50859266
Molecular FormulaC21H24BrFN2
Molecular Weight403.34 g/mol
Exact Mass402.11
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1cc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)ccc1Br
InChIInChI=1S/C21H24BrFN2/c1-13-8-16(6-7-18(13)22)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-19(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyBMUMSJYNRJOPBL-WYMPLXKRSA-N
XLogP6.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.34
LogP ≤ 56.37
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-[2-(2-bromo-5-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]-N-methylethanimine
CID 123155090
1-[2-(2-bromo-5-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]-N-propan-2-ylpropan-1-imine
CID 123819103
N-(4-bromophenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3946575
N-(4-bromo-3-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 4535526
N-(4-bromo-2-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 4982570
N-(2,4-difluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50857870
N-(3-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858165
N-(2,4-difluorophenyl)-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858536
N-(4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858538
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858542
N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858551
N-(4-fluorophenyl)-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858705

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859266) is N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is Cc1cc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)CC3C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is BMUMSJYNRJOPBL-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H24BrFN2/c1-13-8-16(6-7-18(13)22)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-19(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+.
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 403.34 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).