2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine

C17H14BrFN2 — CID 105169391

IUPAC2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1cccc2ncccc12
InChIInChI=1S/C17H14BrFN2/c18-12-7-11(8-13(19)10-12)9-16(20)14-3-1-5-17-15(14)4-2-6-21-17/h1-8,10,16H,9,20H2
InChIKeyGAJGNYBBVMYCNE-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.38
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine

2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine (PubChem CID 105169391) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
PubChem CID105169391
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1cccc2ncccc12
InChIInChI=1S/C17H14BrFN2/c18-12-7-11(8-13(19)10-12)9-16(20)14-3-1-5-17-15(14)4-2-6-21-17/h1-8,10,16H,9,20H2
InChIKeyGAJGNYBBVMYCNE-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105169346
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 115533554
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
2-(furan-3-yl)-1-quinolin-5-ylethanamine
CID 105177642
2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357326
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine (CID 105169391) is 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine is NC(Cc1cc(F)cc(Br)c1)c1cccc2ncccc12.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine?
The InChIKey is GAJGNYBBVMYCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-12-7-11(8-13(19)10-12)9-16(20)14-3-1-5-17-15(14)4-2-6-21-17/h1-8,10,16H,9,20H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine?
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine has a molecular weight of 345.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine is sourced from PubChem (CID 105169391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).