6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

C13H18FN — CID 105460978

IUPAC6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CC1CCNc2ccc(F)cc21
InChIInChI=1S/C13H18FN/c1-9(2)7-10-5-6-15-13-4-3-11(14)8-12(10)13/h3-4,8-10,15H,5-7H2,1-2H3
InChIKeyRXEVWBDAYYJBCU-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.77
Rot. Bonds2

About 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105460978) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105460978
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CC1CCNc2ccc(F)cc21
InChIInChI=1S/C13H18FN/c1-9(2)7-10-5-6-15-13-4-3-11(14)8-12(10)13/h3-4,8-10,15H,5-7H2,1-2H3
InChIKeyRXEVWBDAYYJBCU-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanol
CID 83752790
6-fluoro-4-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105494864
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460976
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile
CID 83635919
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
2-(6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl)ethanol
CID 84623376

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (CID 105460978) is 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is CC(C)CC1CCNc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RXEVWBDAYYJBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)7-10-5-6-15-13-4-3-11(14)8-12(10)13/h3-4,8-10,15H,5-7H2,1-2H3.
What are the key properties of 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 207.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105460978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).