4,6-dimethyl-N-phenylquinolin-2-amine

C17H16N2 — CID 687170

IUPAC4,6-dimethyl-N-phenylquinolin-2-amine
SMILESCc1ccc2nc(Nc3ccccc3)cc(C)c2c1
InChIInChI=1S/C17H16N2/c1-12-8-9-16-15(10-12)13(2)11-17(19-16)18-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeyBFOWTYGBWYCXKR-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.60
Rot. Bonds2

About 4,6-dimethyl-N-phenylquinolin-2-amine

4,6-dimethyl-N-phenylquinolin-2-amine (PubChem CID 687170) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-phenylquinolin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-phenylquinolin-2-amine
PubChem CID687170
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4,6-dimethyl-N-phenylquinolin-2-amine
SMILESCc1ccc2nc(Nc3ccccc3)cc(C)c2c1
InChIInChI=1S/C17H16N2/c1-12-8-9-16-15(10-12)13(2)11-17(19-16)18-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)
InChIKeyBFOWTYGBWYCXKR-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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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-phenylquinolin-2-amine?
The IUPAC name of 4,6-dimethyl-N-phenylquinolin-2-amine (CID 687170) is 4,6-dimethyl-N-phenylquinolin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-phenylquinolin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-phenylquinolin-2-amine is Cc1ccc2nc(Nc3ccccc3)cc(C)c2c1.
What is the InChIKey of 4,6-dimethyl-N-phenylquinolin-2-amine?
The InChIKey is BFOWTYGBWYCXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-8-9-16-15(10-12)13(2)11-17(19-16)18-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4,6-dimethyl-N-phenylquinolin-2-amine?
4,6-dimethyl-N-phenylquinolin-2-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 4,6-dimethyl-N-phenylquinolin-2-amine is sourced from PubChem (CID 687170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).