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

C20H23FN2 — CID 99865608

IUPACN-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESC[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)cc3)cc21
InChIInChI=1S/C20H23FN2/c1-14-12-20(2,3)23(4)19-10-5-15(11-18(14)19)13-22-17-8-6-16(21)7-9-17/h5-11,13-14H,12H2,1-4H3/b22-13+/t14-/m0/s1
InChIKeyGGQOJKPTIQWJAP-KOUDTOEKSA-N
MW310.42 g/mol
LogP5.30
Rot. Bonds2

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

N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 99865608) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
PubChem CID99865608
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC NameN-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESC[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)cc3)cc21
InChIInChI=1S/C20H23FN2/c1-14-12-20(2,3)23(4)19-10-5-15(11-18(14)19)13-22-17-8-6-16(21)7-9-17/h5-11,13-14H,12H2,1-4H3/b22-13+/t14-/m0/s1
InChIKeyGGQOJKPTIQWJAP-KOUDTOEKSA-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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Related Compounds

N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858629
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858542
N-(4-propan-2-ylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858559
N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865581
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865585
N-(4-bromo-3-chlorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858526
4-fluoro-N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99885492
N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858602
N-(2,4-dimethylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858531
N-(3-fluorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862370
3-fluoro-N-[(Z)-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99885482
N-(3-chloro-4-fluorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862633

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine (CID 99865608) is N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine is C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)cc3)cc21.
What is the InChIKey of N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The InChIKey is GGQOJKPTIQWJAP-KOUDTOEKSA-N. The full InChI is InChI=1S/C20H23FN2/c1-14-12-20(2,3)23(4)19-10-5-15(11-18(14)19)13-22-17-8-6-16(21)7-9-17/h5-11,13-14H,12H2,1-4H3/b22-13+/t14-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
N-(4-fluorophenyl)-1-[(4S)-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-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 99865608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).