2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine

C17H14BrFN2 — CID 105172118

IUPAC2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
SMILESNC(Cc1cccc(F)c1Br)c1cccc2cccnc12
InChIInChI=1S/C17H14BrFN2/c18-16-12(5-2-8-14(16)19)10-15(20)13-7-1-4-11-6-3-9-21-17(11)13/h1-9,15H,10,20H2
InChIKeyBXVKIGTUDSGUIP-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.38
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine

2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine (PubChem CID 105172118) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
PubChem CID105172118
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
SMILESNC(Cc1cccc(F)c1Br)c1cccc2cccnc12
InChIInChI=1S/C17H14BrFN2/c18-16-12(5-2-8-14(16)19)10-15(20)13-7-1-4-11-6-3-9-21-17(11)13/h1-9,15H,10,20H2
InChIKeyBXVKIGTUDSGUIP-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

1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105172090
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
1-quinolin-8-yl-2-thiophen-2-ylethanamine
CID 81231172
1-quinolin-8-ylbutan-1-amine
CID 79016206
2-(2,3-difluorophenyl)-1-naphthalen-1-ylethanamine
CID 62715879

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine (CID 105172118) is 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine is NC(Cc1cccc(F)c1Br)c1cccc2cccnc12.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine?
The InChIKey is BXVKIGTUDSGUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-16-12(5-2-8-14(16)19)10-15(20)13-7-1-4-11-6-3-9-21-17(11)13/h1-9,15H,10,20H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine?
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-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-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine is sourced from PubChem (CID 105172118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).