1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine

C22H25FN2 — CID 911275

IUPAC1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine
SMILESCCN1c2ccc(/C=N/Cc3ccc(F)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25FN2/c1-5-25-21-11-8-18(12-20(21)16(2)13-22(25,3)4)15-24-14-17-6-9-19(23)10-7-17/h6-13,15H,5,14H2,1-4H3/b24-15+
InChIKeyIPLMRWQDTHCQKO-BUVRLJJBSA-N
MW336.45 g/mol
LogP5.47
Rot. Bonds4

About 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine

1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine (PubChem CID 911275) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine
PubChem CID911275
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Name1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine
SMILESCCN1c2ccc(/C=N/Cc3ccc(F)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25FN2/c1-5-25-21-11-8-18(12-20(21)16(2)13-22(25,3)4)15-24-14-17-6-9-19(23)10-7-17/h6-13,15H,5,14H2,1-4H3/b24-15+
InChIKeyIPLMRWQDTHCQKO-BUVRLJJBSA-N
XLogP5.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.47
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

Basic Violet 4
CID 16955
Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
CID 80679
N,N-Dimethyl-alpha-(3,4-xylylimino)-P-toluidine
CID 691368
4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone
CID 6863007
(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine
CID 656767
3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
CID 99600
N-[p-(Dimethylamino)benzylidene]aniline
CID 234157
N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium
CID 12450
6-Methyl-3-(p-tolyl)-3,4-dihydroquinazoline
CID 224464
N,N-Dimethyl-alpha-(1-naphthylimino)-para-toluidine
CID 623702
[1-Benzyl-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298928
Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)imino]methyl]-
CID 915196

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine?
The IUPAC name of 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine (CID 911275) is 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine.
What is the SMILES notation for 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine?
The canonical SMILES for 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine is CCN1c2ccc(/C=N/Cc3ccc(F)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine?
The InChIKey is IPLMRWQDTHCQKO-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H25FN2/c1-5-25-21-11-8-18(12-20(21)16(2)13-22(25,3)4)15-24-14-17-6-9-19(23)10-7-17/h6-13,15H,5,14H2,1-4H3/b24-15+.
What are the key properties of 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine?
1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine has a molecular weight of 336.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-[(4-fluorophenyl)methyl]methanimine is sourced from PubChem (CID 911275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).