isoquinolin-8-yl-(4-methylphenyl)methanamine

C17H16N2 — CID 103136734

IUPACisoquinolin-8-yl-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc3ccncc23)cc1
InChIInChI=1S/C17H16N2/c1-12-5-7-14(8-6-12)17(18)15-4-2-3-13-9-10-19-11-16(13)15/h2-11,17H,18H2,1H3
InChIKeyXCZOGCHSEKBFQK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.59
Rot. Bonds2

About isoquinolin-8-yl-(4-methylphenyl)methanamine

isoquinolin-8-yl-(4-methylphenyl)methanamine (PubChem CID 103136734) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is isoquinolin-8-yl-(4-methylphenyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-8-yl-(4-methylphenyl)methanamine
PubChem CID103136734
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Nameisoquinolin-8-yl-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cccc3ccncc23)cc1
InChIInChI=1S/C17H16N2/c1-12-5-7-14(8-6-12)17(18)15-4-2-3-13-9-10-19-11-16(13)15/h2-11,17H,18H2,1H3
InChIKeyXCZOGCHSEKBFQK-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(4-methylphenyl)methanamine?
The IUPAC name of isoquinolin-8-yl-(4-methylphenyl)methanamine (CID 103136734) is isoquinolin-8-yl-(4-methylphenyl)methanamine.
What is the SMILES notation for isoquinolin-8-yl-(4-methylphenyl)methanamine?
The canonical SMILES for isoquinolin-8-yl-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2cccc3ccncc23)cc1.
What is the InChIKey of isoquinolin-8-yl-(4-methylphenyl)methanamine?
The InChIKey is XCZOGCHSEKBFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-5-7-14(8-6-12)17(18)15-4-2-3-13-9-10-19-11-16(13)15/h2-11,17H,18H2,1H3.
What are the key properties of isoquinolin-8-yl-(4-methylphenyl)methanamine?
isoquinolin-8-yl-(4-methylphenyl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(4-methylphenyl)methanamine is sourced from PubChem (CID 103136734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).