1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine

C18H18N2 — CID 103136230

IUPAC1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)c1cccc2ccncc12
InChIInChI=1S/C18H18N2/c1-13-6-3-4-8-15(13)18(19-2)16-9-5-7-14-10-11-20-12-17(14)16/h3-12,18-19H,1-2H3
InChIKeyNTSZWULLLFCNMM-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.85
Rot. Bonds3

About 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine

1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 103136230) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID103136230
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccccc1C)c1cccc2ccncc12
InChIInChI=1S/C18H18N2/c1-13-6-3-4-8-15(13)18(19-2)16-9-5-7-14-10-11-20-12-17(14)16/h3-12,18-19H,1-2H3
InChIKeyNTSZWULLLFCNMM-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006641
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine (CID 103136230) is 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccccc1C)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is NTSZWULLLFCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-6-3-4-8-15(13)18(19-2)16-9-5-7-14-10-11-20-12-17(14)16/h3-12,18-19H,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine?
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 262.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 103136230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).