N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine

C21H25BrN2 — CID 99865637

IUPACN-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESCc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C
InChIInChI=1S/C21H25BrN2/c1-14-10-20-19(15(2)12-21(3,4)24(20)5)11-16(14)13-23-18-8-6-17(22)7-9-18/h6-11,13,15H,12H2,1-5H3/b23-13+/t15-/m1/s1
InChIKeyIBAFFRHQARZTGF-LJGKHRNASA-N
MW385.35 g/mol
LogP6.23
Rot. Bonds2

About N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine

N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 99865637) has the molecular formula C21H25BrN2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
PubChem CID99865637
Molecular FormulaC21H25BrN2
Molecular Weight385.35 g/mol
Exact Mass384.12
IUPAC NameN-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESCc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C
InChIInChI=1S/C21H25BrN2/c1-14-10-20-19(15(2)12-21(3,4)24(20)5)11-16(14)13-23-18-8-6-17(22)7-9-18/h6-11,13,15H,12H2,1-5H3/b23-13+/t15-/m1/s1
InChIKeyIBAFFRHQARZTGF-LJGKHRNASA-N
XLogP6.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine with MolForge

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Related Compounds

N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865632
methyl 4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoate
CID 50858676
N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858794
N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859847
N-[4-(3-methoxyphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858687
N-(2,4-difluorophenyl)-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858536
N-(4-methylphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
CID 125043844
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
CID 99865763
N-(3-bromophenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859905
N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860862
2-(4-bromophenoxy)-N-[(Z)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50858476
4-methyl-3-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoic acid
CID 50858748

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine (CID 99865637) is N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine is Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C.
What is the InChIKey of N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?
The InChIKey is IBAFFRHQARZTGF-LJGKHRNASA-N. The full InChI is InChI=1S/C21H25BrN2/c1-14-10-20-19(15(2)12-21(3,4)24(20)5)11-16(14)13-23-18-8-6-17(22)7-9-18/h6-11,13,15H,12H2,1-5H3/b23-13+/t15-/m1/s1.
What are the key properties of N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?
N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine has a molecular weight of 385.35 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 99865637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).