(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine

C16H12BrFN2 — CID 66424075

IUPAC(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
SMILESNC(c1cc(F)cc(Br)c1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12BrFN2/c17-13-6-11(7-14(18)8-13)16(19)12-5-10-3-1-2-4-15(10)20-9-12/h1-9,16H,19H2
InChIKeyHZPZRXRDINAGFT-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.18
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine

(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine (PubChem CID 66424075) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
PubChem CID66424075
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
SMILESNC(c1cc(F)cc(Br)c1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12BrFN2/c17-13-6-11(7-14(18)8-13)16(19)12-5-10-3-1-2-4-15(10)20-9-12/h1-9,16H,19H2
InChIKeyHZPZRXRDINAGFT-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-bromo-5-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105238656
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
CID 64712789
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine
CID 115798167
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
fluoro(quinolin-3-yl)methanol
CID 163892772
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
(5-methylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798712

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine (CID 66424075) is (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine is NC(c1cc(F)cc(Br)c1)c1cnc2ccccc2c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine?
The InChIKey is HZPZRXRDINAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-13-6-11(7-14(18)8-13)16(19)12-5-10-3-1-2-4-15(10)20-9-12/h1-9,16H,19H2.
What are the key properties of (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine?
(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine has a molecular weight of 331.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine is sourced from PubChem (CID 66424075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).