quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine

C16H11F3N2 — CID 115798580

IUPACquinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cnc2ccccc2c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H11F3N2/c17-11-6-12(18)15(13(19)7-11)16(20)10-5-9-3-1-2-4-14(9)21-8-10/h1-8,16H,20H2
InChIKeyJLXDMNHRWUPVDS-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.70
Rot. Bonds2

About quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine

quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine (PubChem CID 115798580) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Namequinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
PubChem CID115798580
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Namequinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cnc2ccccc2c1)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H11F3N2/c17-11-6-12(18)15(13(19)7-11)16(20)10-5-9-3-1-2-4-14(9)21-8-10/h1-8,16H,20H2
InChIKeyJLXDMNHRWUPVDS-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
CID 66424075
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
CID 64712789
(5-methylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798712
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
CID 66054039
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798523
fluoro(quinolin-3-yl)methanol
CID 163892772
[(3-bromo-5-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105238656
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428

Frequently Asked Questions

What is the IUPAC name of quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine (CID 115798580) is quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine is NC(c1cnc2ccccc2c1)c1c(F)cc(F)cc1F.
What is the InChIKey of quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is JLXDMNHRWUPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-11-6-12(18)15(13(19)7-11)16(20)10-5-9-3-1-2-4-14(9)21-8-10/h1-8,16H,20H2.
What are the key properties of quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine?
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 288.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 115798580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).