N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C20H23FN2 — CID 50858551

IUPACN-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3F)cc21
InChIInChI=1S/C20H23FN2/c1-14-12-20(2,3)23(4)19-10-9-15(11-16(14)19)13-22-18-8-6-5-7-17(18)21/h5-11,13-14H,12H2,1-4H3/b22-13+
InChIKeyWKOKMYBYMUUEKK-LPYMAVHISA-N
MW310.42 g/mol
LogP5.30
Rot. Bonds2

About N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50858551) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50858551
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC NameN-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3F)cc21
InChIInChI=1S/C20H23FN2/c1-14-12-20(2,3)23(4)19-10-9-15(11-16(14)19)13-22-18-8-6-5-7-17(18)21/h5-11,13-14H,12H2,1-4H3/b22-13+
InChIKeyWKOKMYBYMUUEKK-LPYMAVHISA-N
XLogP5.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50858551) is N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CC1CC(C)(C)N(C)c2ccc(/C=N/c3ccccc3F)cc21.
What is the InChIKey of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is WKOKMYBYMUUEKK-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23FN2/c1-14-12-20(2,3)23(4)19-10-9-15(11-16(14)19)13-22-18-8-6-5-7-17(18)21/h5-11,13-14H,12H2,1-4H3/b22-13+.
What are the key properties of N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 310.42 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50858551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).