N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine

C27H30N2O — CID 99865581

IUPACN-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESCc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1
InChIInChI=1S/C27H30N2O/c1-19-6-11-23(12-7-19)30-24-13-9-22(10-14-24)28-18-21-8-15-26-25(16-21)20(2)17-27(3,4)29(26)5/h6-16,18,20H,17H2,1-5H3/b28-18+/t20-/m0/s1
InChIKeyNNGVKCOVSFVESU-FNVGFWRISA-N
MW398.55 g/mol
LogP7.26
Rot. Bonds4

About N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine

N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 99865581) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
PubChem CID99865581
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESCc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1
InChIInChI=1S/C27H30N2O/c1-19-6-11-23(12-7-19)30-24-13-9-22(10-14-24)28-18-21-8-15-26-25(16-21)20(2)17-27(3,4)29(26)5/h6-16,18,20H,17H2,1-5H3/b28-18+/t20-/m0/s1
InChIKeyNNGVKCOVSFVESU-FNVGFWRISA-N
XLogP7.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-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-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865585
N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865608
N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858629
N-(4-propan-2-ylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858559
1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 99865717
N-(2,4-dimethylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858531
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858542
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865632
N-[4-(3-chlorophenoxy)phenyl]-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862266
N-(4-bromo-3-chlorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858526
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859359
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 50863496

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine (CID 99865581) is N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine is Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The InChIKey is NNGVKCOVSFVESU-FNVGFWRISA-N. The full InChI is InChI=1S/C27H30N2O/c1-19-6-11-23(12-7-19)30-24-13-9-22(10-14-24)28-18-21-8-15-26-25(16-21)20(2)17-27(3,4)29(26)5/h6-16,18,20H,17H2,1-5H3/b28-18+/t20-/m0/s1.
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine has a molecular weight of 398.55 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 99865581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).