6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane

C19H24FN — CID 142306693

IUPAC6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
SMILESCC.CC1CCNc2c(F)cc(Cc3ccccc3)cc21
InChIInChI=1S/C17H18FN.C2H6/c1-12-7-8-19-17-15(12)10-14(11-16(17)18)9-13-5-3-2-4-6-13;1-2/h2-6,10-12,19H,7-9H2,1H3;1-2H3
InChIKeyDHZSLZBFYKXZJJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.36
Rot. Bonds2

About 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane

6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane (PubChem CID 142306693) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane.

Molecular Properties

Compound Name6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
PubChem CID142306693
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
SMILESCC.CC1CCNc2c(F)cc(Cc3ccccc3)cc21
InChIInChI=1S/C17H18FN.C2H6/c1-12-7-8-19-17-15(12)10-14(11-16(17)18)9-13-5-3-2-4-6-13;1-2/h2-6,10-12,19H,7-9H2,1H3;1-2H3
InChIKeyDHZSLZBFYKXZJJ-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134352008
6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142306810
6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142307127
6-benzyl-4-tert-butyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 134338559
(5R)-7-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 59649507
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351440
[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine
CID 142307126
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
CID 142306850
4-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 119095098

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane?
The IUPAC name of 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane (CID 142306693) is 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane.
What is the SMILES notation for 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane?
The canonical SMILES for 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane is CC.CC1CCNc2c(F)cc(Cc3ccccc3)cc21.
What is the InChIKey of 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane?
The InChIKey is DHZSLZBFYKXZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN.C2H6/c1-12-7-8-19-17-15(12)10-14(11-16(17)18)9-13-5-3-2-4-6-13;1-2/h2-6,10-12,19H,7-9H2,1H3;1-2H3.
What are the key properties of 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane?
6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane has a molecular weight of 285.41 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane is sourced from PubChem (CID 142306693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).