4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C18H19F2N — CID 114933231

IUPAC4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(CCc2c(F)cccc2F)c2ccccc2N1
InChIInChI=1S/C18H19F2N/c1-12-11-13(14-5-2-3-8-18(14)21-12)9-10-15-16(19)6-4-7-17(15)20/h2-8,12-13,21H,9-11H2,1H3
InChIKeyXCVNSAQGCOVVKZ-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.89
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline

4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 114933231) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID114933231
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(CCc2c(F)cccc2F)c2ccccc2N1
InChIInChI=1S/C18H19F2N/c1-12-11-13(14-5-2-3-8-18(14)21-12)9-10-15-16(19)6-4-7-17(15)20/h2-8,12-13,21H,9-11H2,1H3
InChIKeyXCVNSAQGCOVVKZ-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.89
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-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79740656
4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882341
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 115502890
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 103396615
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 114933231) is 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CC(CCc2c(F)cccc2F)c2ccccc2N1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is XCVNSAQGCOVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12-11-13(14-5-2-3-8-18(14)21-12)9-10-15-16(19)6-4-7-17(15)20/h2-8,12-13,21H,9-11H2,1H3.
What are the key properties of 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114933231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).