4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine

C14H19N3O — CID 62285875

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
SMILESCOCCN(C)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-17(7-8-18-2)14-9-11(10-15)12-5-3-4-6-13(12)16-14/h3-6,9H,7-8,10,15H2,1-2H3
InChIKeyCJTKQIGSBVGIGM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine

4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine (PubChem CID 62285875) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
PubChem CID62285875
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
SMILESCOCCN(C)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-17(7-8-18-2)14-9-11(10-15)12-5-3-4-6-13(12)16-14/h3-6,9H,7-8,10,15H2,1-2H3
InChIKeyCJTKQIGSBVGIGM-UHFFFAOYSA-N
XLogP1.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine (CID 62285875) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine is COCCN(C)c1cc(CN)c2ccccc2n1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine?
The InChIKey is CJTKQIGSBVGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(7-8-18-2)14-9-11(10-15)12-5-3-4-6-13(12)16-14/h3-6,9H,7-8,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine?
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 62285875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).