[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine

C23H19F3N2 — CID 89121330

IUPAC[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H19F3N2/c24-23(25,26)20-8-5-17(6-9-20)18-7-12-22-19(14-18)2-1-13-28(22)21-10-3-16(15-27)4-11-21/h3-12,14-15,27H,1-2,13H2/b27-15+
InChIKeyFEAIEUNHKKSQGZ-JFLMPSFJSA-N
MW380.41 g/mol
LogP6.45
Rot. Bonds3

About [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine

[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine (PubChem CID 89121330) has the molecular formula C23H19F3N2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine
PubChem CID89121330
Molecular FormulaC23H19F3N2
Molecular Weight380.41 g/mol
Exact Mass380.15
IUPAC Name[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H19F3N2/c24-23(25,26)20-8-5-17(6-9-20)18-7-12-22-19(14-18)2-1-13-28(22)21-10-3-16(15-27)4-11-21/h3-12,14-15,27H,1-2,13H2/b27-15+
InChIKeyFEAIEUNHKKSQGZ-JFLMPSFJSA-N
XLogP6.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[(4E)-4-(4-phenylphenyl)imino-7-(trifluoromethyl)-1-quinolyl]butan-1-amine
CID 60167498
1-ethyl-N-(4-phenylphenyl)-7-(trifluoromethyl)quinolin-4-imine
CID 71682957
N-(4-phenylphenyl)-1-[3-(1-piperidyl)propyl]-7-(trifluoromethyl)quinolin-4-imine
CID 72703484
N,N-diethyl-3-[(4E)-4-(4-phenylphenyl)imino-7-(trifluoromethyl)-1-quinolyl]propan-1-amine
CID 72703697
N-(4-phenylphenyl)-1-[3-(1-piperidyl)propyl]-6-(trifluoromethyl)quinolin-4-imine
CID 72703699
2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline
CID 14898040
(2S)-2-butyl-6-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 166445953
4,4-Bis(4-fluorophenyl)-1,6-dimethyl-2,3-dihydroquinoline
CID 168331004
4-(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N-[(E)-phenylmethylidene]aniline
CID 3468086
6-[3-(Trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10295716
6-[4-(Trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
CID 12001117
1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]methanimine
CID 20823473

Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine?
The IUPAC name of [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine (CID 89121330) is [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine.
What is the SMILES notation for [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine?
The canonical SMILES for [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine is [H]/N=C/c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine?
The InChIKey is FEAIEUNHKKSQGZ-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H19F3N2/c24-23(25,26)20-8-5-17(6-9-20)18-7-12-22-19(14-18)2-1-13-28(22)21-10-3-16(15-27)4-11-21/h3-12,14-15,27H,1-2,13H2/b27-15+.
What are the key properties of [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine?
[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine has a molecular weight of 380.41 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]methanimine is sourced from PubChem (CID 89121330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).