4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C18H19F2N — CID 82802179

IUPAC4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(F)c(CC2CC(C)Nc3ccccc32)c1F
InChIInChI=1S/C18H19F2N/c1-11-7-8-16(19)15(18(11)20)10-13-9-12(2)21-17-6-4-3-5-14(13)17/h3-8,12-13,21H,9-10H2,1-2H3
InChIKeyCBGBDRYGZXJMLV-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.80
Rot. Bonds2

About 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82802179) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID82802179
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(F)c(CC2CC(C)Nc3ccccc32)c1F
InChIInChI=1S/C18H19F2N/c1-11-7-8-16(19)15(18(11)20)10-13-9-12(2)21-17-6-4-3-5-14(13)17/h3-8,12-13,21H,9-10H2,1-2H3
InChIKeyCBGBDRYGZXJMLV-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 82802179) is 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is Cc1ccc(F)c(CC2CC(C)Nc3ccccc32)c1F.
What is the InChIKey of 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CBGBDRYGZXJMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-11-7-8-16(19)15(18(11)20)10-13-9-12(2)21-17-6-4-3-5-14(13)17/h3-8,12-13,21H,9-10H2,1-2H3.
What are the key properties of 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.35 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82802179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).