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

C17H15BrN2 — CID 103135968

IUPAC(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3ccncc23)cc1Br
InChIInChI=1S/C17H15BrN2/c1-11-5-6-13(9-16(11)18)17(19)14-4-2-3-12-7-8-20-10-15(12)14/h2-10,17H,19H2,1H3
InChIKeyQENGGPBCLKDQCR-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.35
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine (PubChem CID 103135968) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
PubChem CID103135968
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3ccncc23)cc1Br
InChIInChI=1S/C17H15BrN2/c1-11-5-6-13(9-16(11)18)17(19)14-4-2-3-12-7-8-20-10-15(12)14/h2-10,17H,19H2,1H3
InChIKeyQENGGPBCLKDQCR-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.35
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-ylmethanol
CID 103139157
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine (CID 103135968) is (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine is Cc1ccc(C(N)c2cccc3ccncc23)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine?
The InChIKey is QENGGPBCLKDQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-5-6-13(9-16(11)18)17(19)14-4-2-3-12-7-8-20-10-15(12)14/h2-10,17H,19H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine?
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine is sourced from PubChem (CID 103135968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).