N-methyl-1-(4-methylphenyl)isoquinolin-3-amine

C17H16N2 — CID 11694470

IUPACN-methyl-1-(4-methylphenyl)isoquinolin-3-amine
SMILESCNc1cc2ccccc2c(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H16N2/c1-12-7-9-13(10-8-12)17-15-6-4-3-5-14(15)11-16(18-2)19-17/h3-11H,1-2H3,(H,18,19)
InChIKeyUIDYDYIZTNPJSS-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.25
Rot. Bonds2

About N-methyl-1-(4-methylphenyl)isoquinolin-3-amine

N-methyl-1-(4-methylphenyl)isoquinolin-3-amine (PubChem CID 11694470) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)isoquinolin-3-amine
PubChem CID11694470
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-methyl-1-(4-methylphenyl)isoquinolin-3-amine
SMILESCNc1cc2ccccc2c(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H16N2/c1-12-7-9-13(10-8-12)17-15-6-4-3-5-14(15)11-16(18-2)19-17/h3-11H,1-2H3,(H,18,19)
InChIKeyUIDYDYIZTNPJSS-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hexyl-1-(4-methylphenyl)isoquinoline
CID 139263476
1-(4-iodophenyl)-3-methylisoquinoline
CID 19601654
3-but-3-enyl-1-(4-methylphenyl)isoquinoline
CID 175496086
3-bromo-1-phenylisoquinoline
CID 126560362
6-(4-methylphenyl)phenanthridine
CID 10707098
1-(3-bromophenyl)-3-methylisoquinoline
CID 170562488
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
4,5-bis(4-methylphenyl)-2-phenanthren-9-yl-1H-imidazole
CID 71415012
N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine
CID 23634232

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)isoquinolin-3-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)isoquinolin-3-amine (CID 11694470) is N-methyl-1-(4-methylphenyl)isoquinolin-3-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)isoquinolin-3-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)isoquinolin-3-amine is CNc1cc2ccccc2c(-c2ccc(C)cc2)n1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)isoquinolin-3-amine?
The InChIKey is UIDYDYIZTNPJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-7-9-13(10-8-12)17-15-6-4-3-5-14(15)11-16(18-2)19-17/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-methyl-1-(4-methylphenyl)isoquinolin-3-amine?
N-methyl-1-(4-methylphenyl)isoquinolin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)isoquinolin-3-amine is sourced from PubChem (CID 11694470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).