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

C13H18FN — CID 105460976

IUPAC8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CC1CCNc2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-9(2)8-10-6-7-15-13-11(10)4-3-5-12(13)14/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyPKLRVCZJDGEJER-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.77
Rot. Bonds2

About 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105460976) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105460976
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CC1CCNc2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-9(2)8-10-6-7-15-13-11(10)4-3-5-12(13)14/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyPKLRVCZJDGEJER-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

8-fluoro-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 105479525
5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718717
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978
3-(cyclopentylmethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 106986001
7-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986370
2-methyl-N-[(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]propan-1-amine
CID 105491940
N-cyclopropyl-8-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 105459056
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986374
(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276244
2-methylidene-3-(2-methylpropyl)pyrrolidine
CID 167213849
4-(diethylaminomethyl)-1,2,3,4-tetrahydroquinolin-8-ol
CID 105495034
trimethyl-[(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methyl]silane
CID 3808194

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (CID 105460976) is 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is CC(C)CC1CCNc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PKLRVCZJDGEJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)8-10-6-7-15-13-11(10)4-3-5-12(13)14/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?
8-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 8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105460976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).