(3-isoquinolin-5-yl-4-methylphenyl)methanamine

C17H16N2 — CID 105408745

IUPAC(3-isoquinolin-5-yl-4-methylphenyl)methanamine
SMILESCc1ccc(CN)cc1-c1cccc2cnccc12
InChIInChI=1S/C17H16N2/c1-12-5-6-13(10-18)9-17(12)16-4-2-3-14-11-19-8-7-15(14)16/h2-9,11H,10,18H2,1H3
InChIKeyYHRGHVUHHMOZFN-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.67
Rot. Bonds2

About (3-isoquinolin-5-yl-4-methylphenyl)methanamine

(3-isoquinolin-5-yl-4-methylphenyl)methanamine (PubChem CID 105408745) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-isoquinolin-5-yl-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-isoquinolin-5-yl-4-methylphenyl)methanamine
PubChem CID105408745
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(3-isoquinolin-5-yl-4-methylphenyl)methanamine
SMILESCc1ccc(CN)cc1-c1cccc2cnccc12
InChIInChI=1S/C17H16N2/c1-12-5-6-13(10-18)9-17(12)16-4-2-3-14-11-19-8-7-15(14)16/h2-9,11H,10,18H2,1H3
InChIKeyYHRGHVUHHMOZFN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-isoquinolin-4-yl-4-methylphenyl)methanamine
CID 105408814
(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
CID 103144000
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
(3-isoquinolin-5-ylfuran-2-yl)methanamine
CID 106887150
2-isoquinolin-5-ylaniline
CID 62812627
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
CID 83131231
[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine
CID 82583156
5-pyrimidin-5-ylisoquinoline
CID 141337488
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773

Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-5-yl-4-methylphenyl)methanamine?
The IUPAC name of (3-isoquinolin-5-yl-4-methylphenyl)methanamine (CID 105408745) is (3-isoquinolin-5-yl-4-methylphenyl)methanamine.
What is the SMILES notation for (3-isoquinolin-5-yl-4-methylphenyl)methanamine?
The canonical SMILES for (3-isoquinolin-5-yl-4-methylphenyl)methanamine is Cc1ccc(CN)cc1-c1cccc2cnccc12.
What is the InChIKey of (3-isoquinolin-5-yl-4-methylphenyl)methanamine?
The InChIKey is YHRGHVUHHMOZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-5-6-13(10-18)9-17(12)16-4-2-3-14-11-19-8-7-15(14)16/h2-9,11H,10,18H2,1H3.
What are the key properties of (3-isoquinolin-5-yl-4-methylphenyl)methanamine?
(3-isoquinolin-5-yl-4-methylphenyl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-5-yl-4-methylphenyl)methanamine is sourced from PubChem (CID 105408745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).