N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine

C23H27FN2 — CID 50869014

IUPACN-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(C)c(/C=N/c3ccccc3F)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27FN2/c1-6-11-26-22-12-16(2)18(13-19(22)17(3)14-23(26,4)5)15-25-21-10-8-7-9-20(21)24/h7-10,12-15H,6,11H2,1-5H3/b25-15+
InChIKeyPHAMDCGYTSIFIO-MFKUBSTISA-N
MW350.48 g/mol
LogP6.30
Rot. Bonds4

About N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine

N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50869014) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50869014
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC NameN-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(C)c(/C=N/c3ccccc3F)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27FN2/c1-6-11-26-22-12-16(2)18(13-19(22)17(3)14-23(26,4)5)15-25-21-10-8-7-9-20(21)24/h7-10,12-15H,6,11H2,1-5H3/b25-15+
InChIKeyPHAMDCGYTSIFIO-MFKUBSTISA-N
XLogP6.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
CID 50868984
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
CID 50868619

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine (CID 50869014) is N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2cc(C)c(/C=N/c3ccccc3F)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is PHAMDCGYTSIFIO-MFKUBSTISA-N. The full InChI is InChI=1S/C23H27FN2/c1-6-11-26-22-12-16(2)18(13-19(22)17(3)14-23(26,4)5)15-25-21-10-8-7-9-20(21)24/h7-10,12-15H,6,11H2,1-5H3/b25-15+.
What are the key properties of N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 350.48 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50869014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).