(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine

C16H11BrF2N2 — CID 105021117

IUPAC(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
SMILESNC(c1ccc2ncccc2c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H11BrF2N2/c17-11-7-12(18)15(13(19)8-11)16(20)10-3-4-14-9(6-10)2-1-5-21-14/h1-8,16H,20H2
InChIKeyJELWWGYZCILZCG-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.32
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine

(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine (PubChem CID 105021117) has the molecular formula C16H11BrF2N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
PubChem CID105021117
Molecular FormulaC16H11BrF2N2
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
SMILESNC(c1ccc2ncccc2c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H11BrF2N2/c17-11-7-12(18)15(13(19)8-11)16(20)10-3-4-14-9(6-10)2-1-5-21-14/h1-8,16H,20H2
InChIKeyJELWWGYZCILZCG-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105281033
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105280520
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
1-benzothiophen-2-yl(quinolin-6-yl)methanamine
CID 105021010
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783220
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine (CID 105021117) is (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine is NC(c1ccc2ncccc2c1)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine?
The InChIKey is JELWWGYZCILZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2/c17-11-7-12(18)15(13(19)8-11)16(20)10-3-4-14-9(6-10)2-1-5-21-14/h1-8,16H,20H2.
What are the key properties of (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine?
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine has a molecular weight of 349.18 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine is sourced from PubChem (CID 105021117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).