4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

C17H18FN — CID 115502890

IUPAC4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1c(F)cccc1C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H18FN/c1-11-10-15(13-7-5-8-16(18)12(13)2)14-6-3-4-9-17(14)19-11/h3-9,11,15,19H,10H2,1-2H3
InChIKeyZQUZURYUGFKQAA-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.47
Rot. Bonds1

About 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 115502890) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID115502890
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1c(F)cccc1C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H18FN/c1-11-10-15(13-7-5-8-16(18)12(13)2)14-6-3-4-9-17(14)19-11/h3-9,11,15,19H,10H2,1-2H3
InChIKeyZQUZURYUGFKQAA-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 115503382
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 114933231
4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82802179
(2R)-2-(3-fluoro-2-methylphenyl)aziridine
CID 55263754
4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882341
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808
3-(3-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 130045679
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79740656
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (CID 115502890) is 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1c(F)cccc1C1CC(C)Nc2ccccc21.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZQUZURYUGFKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-11-10-15(13-7-5-8-16(18)12(13)2)14-6-3-4-9-17(14)19-11/h3-9,11,15,19H,10H2,1-2H3.
What are the key properties of 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.34 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115502890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).