N-methyl-1,2-dihydroisoquinolin-4-amine

C10H12N2 — CID 166944414

IUPACN-methyl-1,2-dihydroisoquinolin-4-amine
SMILESCNC1=CNCc2ccccc21
InChIInChI=1S/C10H12N2/c1-11-10-7-12-6-8-4-2-3-5-9(8)10/h2-5,7,11-12H,6H2,1H3
InChIKeyRQDAVWYGUJLPAT-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.31
Rot. Bonds1

About N-methyl-1,2-dihydroisoquinolin-4-amine

N-methyl-1,2-dihydroisoquinolin-4-amine (PubChem CID 166944414) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-methyl-1,2-dihydroisoquinolin-4-amine.

Molecular Properties

Compound NameN-methyl-1,2-dihydroisoquinolin-4-amine
PubChem CID166944414
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-methyl-1,2-dihydroisoquinolin-4-amine
SMILESCNC1=CNCc2ccccc21
InChIInChI=1S/C10H12N2/c1-11-10-7-12-6-8-4-2-3-5-9(8)10/h2-5,7,11-12H,6H2,1H3
InChIKeyRQDAVWYGUJLPAT-UHFFFAOYSA-N
XLogP1.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2-dihydroisoquinolin-4-amine?
The IUPAC name of N-methyl-1,2-dihydroisoquinolin-4-amine (CID 166944414) is N-methyl-1,2-dihydroisoquinolin-4-amine.
What is the SMILES notation for N-methyl-1,2-dihydroisoquinolin-4-amine?
The canonical SMILES for N-methyl-1,2-dihydroisoquinolin-4-amine is CNC1=CNCc2ccccc21.
What is the InChIKey of N-methyl-1,2-dihydroisoquinolin-4-amine?
The InChIKey is RQDAVWYGUJLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-11-10-7-12-6-8-4-2-3-5-9(8)10/h2-5,7,11-12H,6H2,1H3.
What are the key properties of N-methyl-1,2-dihydroisoquinolin-4-amine?
N-methyl-1,2-dihydroisoquinolin-4-amine has a molecular weight of 160.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2-dihydroisoquinolin-4-amine is sourced from PubChem (CID 166944414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).