(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine

C17H15BrN2 — CID 103136741

IUPAC(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
SMILESCc1cc(Br)ccc1C(N)c1cccc2ccncc12
InChIInChI=1S/C17H15BrN2/c1-11-9-13(18)5-6-14(11)17(19)15-4-2-3-12-7-8-20-10-16(12)15/h2-10,17H,19H2,1H3
InChIKeyLEXJDHXVAZIZNG-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.35
Rot. Bonds2

About (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine

(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine (PubChem CID 103136741) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
PubChem CID103136741
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
SMILESCc1cc(Br)ccc1C(N)c1cccc2ccncc12
InChIInChI=1S/C17H15BrN2/c1-11-9-13(18)5-6-14(11)17(19)15-4-2-3-12-7-8-20-10-16(12)15/h2-10,17H,19H2,1H3
InChIKeyLEXJDHXVAZIZNG-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

isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
1-benzothiophen-7-yl-(4-bromo-2-methylphenyl)methanamine
CID 105021831
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine (CID 103136741) is (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine is Cc1cc(Br)ccc1C(N)c1cccc2ccncc12.
What is the InChIKey of (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine?
The InChIKey is LEXJDHXVAZIZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-9-13(18)5-6-14(11)17(19)15-4-2-3-12-7-8-20-10-16(12)15/h2-10,17H,19H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine?
(4-bromo-2-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 (4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine is sourced from PubChem (CID 103136741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).