6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline

C18H20FN — CID 22198842

IUPAC6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(CN2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C18H20FN/c1-13-3-6-15(7-4-13)12-20-14(2)5-8-16-11-17(19)9-10-18(16)20/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3
InChIKeyUUSXQCLNKZYHMH-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.48
Rot. Bonds2

About 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline

6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 22198842) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID22198842
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(CN2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C18H20FN/c1-13-3-6-15(7-4-13)12-20-14(2)5-8-16-11-17(19)9-10-18(16)20/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3
InChIKeyUUSXQCLNKZYHMH-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 72075
Dimetacrine
CID 94280
Despropionyl meta-fluorofentanyl
CID 23741730
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
1-(4-Ethylcyclohexyl)-4-(4-fluorophenyl)piperazine
CID 742940
1-[3-(4-Fluorophenyl)acryloyl]-1,2,3,4-tetrahydroquinoline
CID 773758
1-(Cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine
CID 782498
1-Ethyl-1,2,3,4-tetrahydroquinoline
CID 117428
1-(2,5-Dimethylphenyl)-4-(3-phenylpropyl)piperazine
CID 1376387

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline (CID 22198842) is 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline is Cc1ccc(CN2c3ccc(F)cc3CCC2C)cc1.
What is the InChIKey of 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is UUSXQCLNKZYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-3-6-15(7-4-13)12-20-14(2)5-8-16-11-17(19)9-10-18(16)20/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline?
6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 269.36 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 22198842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).