5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine

C17H14BrFN2 — CID 106537294

IUPAC5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
SMILESFc1ccccc1CCNc1nccc2c(Br)cccc12
InChIInChI=1S/C17H14BrFN2/c18-15-6-3-5-14-13(15)9-11-21-17(14)20-10-8-12-4-1-2-7-16(12)19/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyRDEGAZAVKUTTOT-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.79
Rot. Bonds4

About 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine

5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine (PubChem CID 106537294) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
PubChem CID106537294
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
SMILESFc1ccccc1CCNc1nccc2c(Br)cccc12
InChIInChI=1S/C17H14BrFN2/c18-15-6-3-5-14-13(15)9-11-21-17(14)20-10-8-12-4-1-2-7-16(12)19/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyRDEGAZAVKUTTOT-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
5-bromo-N-[(3,4-difluorophenyl)methyl]isoquinolin-1-amine
CID 106538164
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423
N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911728
5-[(5-bromoisoquinolin-1-yl)amino]pentanamide
CID 106238554
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
5-bromo-N-(2-phenylpropyl)isoquinolin-1-amine
CID 106539446
5-bromo-N-[3-(2-methoxyethoxy)propyl]isoquinolin-1-amine
CID 103847031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine (CID 106537294) is 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine is Fc1ccccc1CCNc1nccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine?
The InChIKey is RDEGAZAVKUTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-15-6-3-5-14-13(15)9-11-21-17(14)20-10-8-12-4-1-2-7-16(12)19/h1-7,9,11H,8,10H2,(H,20,21).
What are the key properties of 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine?
5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine has a molecular weight of 345.22 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine is sourced from PubChem (CID 106537294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).