(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine

C16H12BrClN2 — CID 103136517

IUPAC(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
SMILESNC(c1ccc(Br)c(Cl)c1)c1cccc2ccncc12
InChIInChI=1S/C16H12BrClN2/c17-14-5-4-11(8-15(14)18)16(19)12-3-1-2-10-6-7-20-9-13(10)12/h1-9,16H,19H2
InChIKeyNXOZNMYSCPJFLT-UHFFFAOYSA-N
MW347.64 g/mol
LogP4.70
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine

(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine (PubChem CID 103136517) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
PubChem CID103136517
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
SMILESNC(c1ccc(Br)c(Cl)c1)c1cccc2ccncc12
InChIInChI=1S/C16H12BrClN2/c17-14-5-4-11(8-15(14)18)16(19)12-3-1-2-10-6-7-20-9-13(10)12/h1-9,16H,19H2
InChIKeyNXOZNMYSCPJFLT-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

(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine (CID 103136517) is (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine is NC(c1ccc(Br)c(Cl)c1)c1cccc2ccncc12.
What is the InChIKey of (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine?
The InChIKey is NXOZNMYSCPJFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-14-5-4-11(8-15(14)18)16(19)12-3-1-2-10-6-7-20-9-13(10)12/h1-9,16H,19H2.
What are the key properties of (4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine?
(4-bromo-3-chlorophenyl)-isoquinolin-8-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-3-chlorophenyl)-isoquinolin-8-ylmethanamine is sourced from PubChem (CID 103136517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).