2,4-dimethylquinolin-8-amine

C11H12N2 — CID 1074071

IUPAC2,4-dimethylquinolin-8-amine
SMILESCc1cc(C)c2cccc(N)c2n1
InChIInChI=1S/C11H12N2/c1-7-6-8(2)13-11-9(7)4-3-5-10(11)12/h3-6H,12H2,1-2H3
InChIKeyYRONTRGVBHTTPM-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.43
Rot. Bonds

About 2,4-dimethylquinolin-8-amine

2,4-dimethylquinolin-8-amine (PubChem CID 1074071) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,4-dimethylquinolin-8-amine.

Molecular Properties

Compound Name2,4-dimethylquinolin-8-amine
PubChem CID1074071
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,4-dimethylquinolin-8-amine
SMILESCc1cc(C)c2cccc(N)c2n1
InChIInChI=1S/C11H12N2/c1-7-6-8(2)13-11-9(7)4-3-5-10(11)12/h3-6H,12H2,1-2H3
InChIKeyYRONTRGVBHTTPM-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylquinolin-8-amine?
The IUPAC name of 2,4-dimethylquinolin-8-amine (CID 1074071) is 2,4-dimethylquinolin-8-amine.
What is the SMILES notation for 2,4-dimethylquinolin-8-amine?
The canonical SMILES for 2,4-dimethylquinolin-8-amine is Cc1cc(C)c2cccc(N)c2n1.
What is the InChIKey of 2,4-dimethylquinolin-8-amine?
The InChIKey is YRONTRGVBHTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-6-8(2)13-11-9(7)4-3-5-10(11)12/h3-6H,12H2,1-2H3.
What are the key properties of 2,4-dimethylquinolin-8-amine?
2,4-dimethylquinolin-8-amine has a molecular weight of 172.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylquinolin-8-amine is sourced from PubChem (CID 1074071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).