2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine

C17H14BrFN2 — CID 105136391

IUPAC2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1ccnc2ccccc12
InChIInChI=1S/C17H14BrFN2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-8,10,16H,9,20H2
InChIKeyUHNKLQVFRBFWCI-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.38
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine

2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine (PubChem CID 105136391) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
PubChem CID105136391
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1ccnc2ccccc12
InChIInChI=1S/C17H14BrFN2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-8,10,16H,9,20H2
InChIKeyUHNKLQVFRBFWCI-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

1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997403
2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
CID 62716295
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
2-(2-bromo-4-fluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63989148
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine (CID 105136391) is 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine is NC(Cc1ccc(F)cc1Br)c1ccnc2ccccc12.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine?
The InChIKey is UHNKLQVFRBFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-8,10,16H,9,20H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine?
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-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-4-fluorophenyl)-1-quinolin-4-ylethanamine is sourced from PubChem (CID 105136391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).