5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline

C16H15FN2 — CID 163984234

IUPAC5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline
SMILESCN1CC=Cc2cc(-c3ccc(F)cc3N)ccc21
InChIInChI=1S/C16H15FN2/c1-19-8-2-3-12-9-11(4-7-16(12)19)14-6-5-13(17)10-15(14)18/h2-7,9-10H,8,18H2,1H3
InChIKeyTUWWNMSDDKPUEA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.54
Rot. Bonds1

About 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline

5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline (PubChem CID 163984234) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline
PubChem CID163984234
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline
SMILESCN1CC=Cc2cc(-c3ccc(F)cc3N)ccc21
InChIInChI=1S/C16H15FN2/c1-19-8-2-3-12-9-11(4-7-16(12)19)14-6-5-13(17)10-15(14)18/h2-7,9-10H,8,18H2,1H3
InChIKeyTUWWNMSDDKPUEA-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline?
The IUPAC name of 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline (CID 163984234) is 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline.
What is the SMILES notation for 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline?
The canonical SMILES for 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline is CN1CC=Cc2cc(-c3ccc(F)cc3N)ccc21.
What is the InChIKey of 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline?
The InChIKey is TUWWNMSDDKPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-19-8-2-3-12-9-11(4-7-16(12)19)14-6-5-13(17)10-15(14)18/h2-7,9-10H,8,18H2,1H3.
What are the key properties of 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline?
5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline has a molecular weight of 254.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methyl-2H-quinolin-6-yl)aniline is sourced from PubChem (CID 163984234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).