(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine

C16H12BrFN2 — CID 115853191

IUPAC(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1cccc(F)c1Br)c1cccc2cnccc12
InChIInChI=1S/C16H12BrFN2/c17-15-13(5-2-6-14(15)18)16(19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16H,19H2
InChIKeyCITVGTIPVRBRKB-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.18
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine

(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine (PubChem CID 115853191) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
PubChem CID115853191
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1cccc(F)c1Br)c1cccc2cnccc12
InChIInChI=1S/C16H12BrFN2/c17-15-13(5-2-6-14(15)18)16(19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16H,19H2
InChIKeyCITVGTIPVRBRKB-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
CID 81298869
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine (CID 115853191) is (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine is NC(c1cccc(F)c1Br)c1cccc2cnccc12.
What is the InChIKey of (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine?
The InChIKey is CITVGTIPVRBRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-15-13(5-2-6-14(15)18)16(19)12-4-1-3-10-9-20-8-7-11(10)12/h1-9,16H,19H2.
What are the key properties of (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine?
(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine has a molecular weight of 331.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 115853191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).