(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine

C16H12BrClN2 — CID 115853064

IUPAC(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1ccc(Br)cc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H12BrClN2/c17-11-4-5-14(15(18)8-11)16(19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16H,19H2
InChIKeyDSVSEHCYDHEXCF-UHFFFAOYSA-N
MW347.64 g/mol
LogP4.70
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine

(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine (PubChem CID 115853064) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
PubChem CID115853064
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
SMILESNC(c1ccc(Br)cc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H12BrClN2/c17-11-4-5-14(15(18)8-11)16(19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16H,19H2
InChIKeyDSVSEHCYDHEXCF-UHFFFAOYSA-N
XLogP4.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
CID 115853191
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
CID 81298869

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine (CID 115853064) is (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine is NC(c1ccc(Br)cc1Cl)c1cccc2cnccc12.
What is the InChIKey of (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine?
The InChIKey is DSVSEHCYDHEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-11-4-5-14(15(18)8-11)16(19)13-3-1-2-10-9-20-7-6-12(10)13/h1-9,16H,19H2.
What are the key properties of (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine?
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine has a molecular weight of 347.64 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 115853064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).