5-methyl-N-(2-methylphenyl)isoquinolin-1-amine

C17H16N2 — CID 142656410

IUPAC5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
SMILESCc1ccccc1Nc1nccc2c(C)cccc12
InChIInChI=1S/C17H16N2/c1-12-7-5-8-15-14(12)10-11-18-17(15)19-16-9-4-3-6-13(16)2/h3-11H,1-2H3,(H,18,19)
InChIKeyMYDIZMDFHMNAII-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.60
Rot. Bonds2

About 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine

5-methyl-N-(2-methylphenyl)isoquinolin-1-amine (PubChem CID 142656410) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
PubChem CID142656410
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
SMILESCc1ccccc1Nc1nccc2c(C)cccc12
InChIInChI=1S/C17H16N2/c1-12-7-5-8-15-14(12)10-11-18-17(15)19-16-9-4-3-6-13(16)2/h3-11H,1-2H3,(H,18,19)
InChIKeyMYDIZMDFHMNAII-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
CID 143389811
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
1-fluoro-5-methylisoquinoline
CID 151947623
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
2-[(5-methylisoquinolin-1-yl)amino]acetic acid
CID 82570882
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
1,5-dimethylnaphthalene
CID 162159355
3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328736
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine?
The IUPAC name of 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine (CID 142656410) is 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine is Cc1ccccc1Nc1nccc2c(C)cccc12.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine?
The InChIKey is MYDIZMDFHMNAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-7-5-8-15-14(12)10-11-18-17(15)19-16-9-4-3-6-13(16)2/h3-11H,1-2H3,(H,18,19).
What are the key properties of 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine?
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine has a molecular weight of 248.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)isoquinolin-1-amine is sourced from PubChem (CID 142656410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).