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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Related Compounds

2-ethyl-6-phenoxyquinolin-4-amine
CID 62196105
2-(methoxymethyl)-6-phenoxyquinolin-4-amine
CID 62318979
N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine
CID 82252178
2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 63377115
2-ethyl-6-phenoxyquinazolin-4-amine
CID 106584239
(2-methyl-6-phenoxyquinolin-3-yl)methanamine
CID 82246665
[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377590
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
(2,3-dimethyl-6-phenoxyquinolin-4-yl)hydrazine
CID 63482258
2-[4-(dimethylamino)quinolin-2-yl]acetonitrile
CID 82241601
N-ethyl-6-phenoxyquinolin-4-amine
CID 63485387

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).