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

C28H32N2O — CID 50858794

IUPACN-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3C)cc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C28H32N2O/c1-19-9-7-8-10-27(19)31-24-13-11-23(12-14-24)29-18-22-16-25-21(3)17-28(4,5)30(6)26(25)15-20(22)2/h7-16,18,21H,17H2,1-6H3/b29-18+
InChIKeyLYYXMPOSCJCKRL-RDRPBHBLSA-N
MW412.58 g/mol
LogP7.57
Rot. Bonds4

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

N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50858794) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50858794
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3C)cc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C28H32N2O/c1-19-9-7-8-10-27(19)31-24-13-11-23(12-14-24)29-18-22-16-25-21(3)17-28(4,5)30(6)26(25)15-20(22)2/h7-16,18,21H,17H2,1-6H3/b29-18+
InChIKeyLYYXMPOSCJCKRL-RDRPBHBLSA-N
XLogP7.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-methylphenoxy)phenyl]-1-(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
N-[4-(3-methoxyphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858687
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 99865775
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859939
N-(4-bromophenyl)-1-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865637
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859359
methyl 4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoate
CID 50858676
1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 50860728
N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
CID 125043161
N-(2,4-difluorophenyl)-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858536
N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865581
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
CID 124631427

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50858794) is N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine is Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3C)cc1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is LYYXMPOSCJCKRL-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H32N2O/c1-19-9-7-8-10-27(19)31-24-13-11-23(12-14-24)29-18-22-16-25-21(3)17-28(4,5)30(6)26(25)15-20(22)2/h7-16,18,21H,17H2,1-6H3/b29-18+.
What are the key properties of N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 412.58 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50858794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).