2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine

C18H19N3O — CID 82251171

IUPAC2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine
SMILESCN(C)c1cc(CN)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H19N3O/c1-21(2)18-10-13(12-19)20-17-9-8-15(11-16(17)18)22-14-6-4-3-5-7-14/h3-11H,12,19H2,1-2H3
InChIKeyPXZUPTXLESJBMG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.55
Rot. Bonds4

About 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine

2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine (PubChem CID 82251171) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine
PubChem CID82251171
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine
SMILESCN(C)c1cc(CN)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H19N3O/c1-21(2)18-10-13(12-19)20-17-9-8-15(11-16(17)18)22-14-6-4-3-5-7-14/h3-11H,12,19H2,1-2H3
InChIKeyPXZUPTXLESJBMG-UHFFFAOYSA-N
XLogP3.55
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine (CID 82251171) is 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine is CN(C)c1cc(CN)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine?
The InChIKey is PXZUPTXLESJBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(2)18-10-13(12-19)20-17-9-8-15(11-16(17)18)22-14-6-4-3-5-7-14/h3-11H,12,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine?
2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethyl-6-phenoxyquinolin-4-amine is sourced from PubChem (CID 82251171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).