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

C18H20FNO — CID 103396615

IUPAC4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(CC2CC(C)Nc3ccccc32)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12-9-14(16-5-3-4-6-18(16)20-12)10-13-7-8-15(21-2)11-17(13)19/h3-8,11-12,14,20H,9-10H2,1-2H3
InChIKeyBBJSDRJGDIUNOF-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.36
Rot. Bonds3

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

4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 103396615) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID103396615
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(CC2CC(C)Nc3ccccc32)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12-9-14(16-5-3-4-6-18(16)20-12)10-13-7-8-15(21-2)11-17(13)19/h3-8,11-12,14,20H,9-10H2,1-2H3
InChIKeyBBJSDRJGDIUNOF-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82802179
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 114933231
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 103396615) is 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is COc1ccc(CC2CC(C)Nc3ccccc32)c(F)c1.
What is the InChIKey of 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BBJSDRJGDIUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-9-14(16-5-3-4-6-18(16)20-12)10-13-7-8-15(21-2)11-17(13)19/h3-8,11-12,14,20H,9-10H2,1-2H3.
What are the key properties of 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103396615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).