2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline

C15H15FN2 — CID 107602849

IUPAC2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
SMILESNc1c(F)cccc1C1CCCc2cccnc21
InChIInChI=1S/C15H15FN2/c16-13-8-2-6-11(14(13)17)12-7-1-4-10-5-3-9-18-15(10)12/h2-3,5-6,8-9,12H,1,4,7,17H2
InChIKeyIHHYSHSOPGWXQB-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.27
Rot. Bonds1

About 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline

2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline (PubChem CID 107602849) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
PubChem CID107602849
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
SMILESNc1c(F)cccc1C1CCCc2cccnc21
InChIInChI=1S/C15H15FN2/c16-13-8-2-6-11(14(13)17)12-7-1-4-10-5-3-9-18-15(10)12/h2-3,5-6,8-9,12H,1,4,7,17H2
InChIKeyIHHYSHSOPGWXQB-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107615870
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine
CID 79721454
5-(5,6,7,8-tetrahydroquinolin-8-yl)-1,3,4-thiadiazol-2-amine
CID 79739277
[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine
CID 106887512
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
The IUPAC name of 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline (CID 107602849) is 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
The canonical SMILES for 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline is Nc1c(F)cccc1C1CCCc2cccnc21.
What is the InChIKey of 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
The InChIKey is IHHYSHSOPGWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-13-8-2-6-11(14(13)17)12-7-1-4-10-5-3-9-18-15(10)12/h2-3,5-6,8-9,12H,1,4,7,17H2.
What are the key properties of 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline?
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline has a molecular weight of 242.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline is sourced from PubChem (CID 107602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).