2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline

C16H16FN — CID 79691457

IUPAC2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)cc(C2CCc3ccccc3N2)c1
InChIInChI=1S/C16H16FN/c1-11-8-13(10-14(17)9-11)16-7-6-12-4-2-3-5-15(12)18-16/h2-5,8-10,16,18H,6-7H2,1H3
InChIKeyDQJTYOCBAOAFRR-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.23
Rot. Bonds1

About 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline

2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 79691457) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID79691457
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)cc(C2CCc3ccccc3N2)c1
InChIInChI=1S/C16H16FN/c1-11-8-13(10-14(17)9-11)16-7-6-12-4-2-3-5-15(12)18-16/h2-5,8-10,16,18H,6-7H2,1H3
InChIKeyDQJTYOCBAOAFRR-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline (CID 79691457) is 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline is Cc1cc(F)cc(C2CCc3ccccc3N2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DQJTYOCBAOAFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-11-8-13(10-14(17)9-11)16-7-6-12-4-2-3-5-15(12)18-16/h2-5,8-10,16,18H,6-7H2,1H3.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline?
2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.31 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79691457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).