N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine

C26H26N2O — CID 141030045

IUPACN-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine
SMILESCc1cccc(COc2cccc(CN(C)c3ccc4ccccc4n3)c2)c1C
InChIInChI=1S/C26H26N2O/c1-19-8-6-11-23(20(19)2)18-29-24-12-7-9-21(16-24)17-28(3)26-15-14-22-10-4-5-13-25(22)27-26/h4-16H,17-18H2,1-3H3
InChIKeyGKKJIZDWAXLJRL-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.07
Rot. Bonds6

About N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine

N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine (PubChem CID 141030045) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine
PubChem CID141030045
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine
SMILESCc1cccc(COc2cccc(CN(C)c3ccc4ccccc4n3)c2)c1C
InChIInChI=1S/C26H26N2O/c1-19-8-6-11-23(20(19)2)18-29-24-12-7-9-21(16-24)17-28(3)26-15-14-22-10-4-5-13-25(22)27-26/h4-16H,17-18H2,1-3H3
InChIKeyGKKJIZDWAXLJRL-UHFFFAOYSA-N
XLogP6.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine?
The IUPAC name of N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine (CID 141030045) is N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine.
What is the SMILES notation for N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine?
The canonical SMILES for N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine is Cc1cccc(COc2cccc(CN(C)c3ccc4ccccc4n3)c2)c1C.
What is the InChIKey of N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine?
The InChIKey is GKKJIZDWAXLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-19-8-6-11-23(20(19)2)18-29-24-12-7-9-21(16-24)17-28(3)26-15-14-22-10-4-5-13-25(22)27-26/h4-16H,17-18H2,1-3H3.
What are the key properties of N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine?
N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine has a molecular weight of 382.51 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,3-dimethylphenyl)methoxy]phenyl]methyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 141030045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).