4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C19H22FN — CID 106882341

IUPAC4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(CC2CC(C)Nc3ccccc32)c(F)c1
InChIInChI=1S/C19H22FN/c1-12-8-13(2)17(18(20)9-12)11-15-10-14(3)21-19-7-5-4-6-16(15)19/h4-9,14-15,21H,10-11H2,1-3H3
InChIKeyNLKHZOQJHBKVFA-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.97
Rot. Bonds2

About 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106882341) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106882341
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(CC2CC(C)Nc3ccccc32)c(F)c1
InChIInChI=1S/C19H22FN/c1-12-8-13(2)17(18(20)9-12)11-15-10-14(3)21-19-7-5-4-6-16(15)19/h4-9,14-15,21H,10-11H2,1-3H3
InChIKeyNLKHZOQJHBKVFA-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82802179
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79740656
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 103396615
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 114933231
2-methyl-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 115503382
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 115502890
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79704094

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 106882341) is 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c(CC2CC(C)Nc3ccccc32)c(F)c1.
What is the InChIKey of 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NLKHZOQJHBKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-12-8-13(2)17(18(20)9-12)11-15-10-14(3)21-19-7-5-4-6-16(15)19/h4-9,14-15,21H,10-11H2,1-3H3.
What are the key properties of 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 283.39 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106882341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).