2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine

C18H26N2O — CID 116721227

IUPAC2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H26N2O/c1-6-21-18(12(2)3)17(19-5)15-9-10-16-14(11-15)8-7-13(4)20-16/h7-12,17-19H,6H2,1-5H3
InChIKeyITYSXPNXTHJJEX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.86
Rot. Bonds6

About 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine

2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine (PubChem CID 116721227) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
PubChem CID116721227
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H26N2O/c1-6-21-18(12(2)3)17(19-5)15-9-10-16-14(11-15)8-7-13(4)20-16/h7-12,17-19H,6H2,1-5H3
InChIKeyITYSXPNXTHJJEX-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
[2-methyl-1-(2-methylquinolin-6-yl)propyl]hydrazine
CID 105199572
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
N,2,2-trimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105020769
3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172258
[2-methyl-1-(2-methylquinolin-6-yl)pentyl]hydrazine
CID 105327228
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235
[2-ethyl-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 105327189
2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116721090
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine (CID 116721227) is 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine is CCOC(C(C)C)C(NC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
The InChIKey is ITYSXPNXTHJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-21-18(12(2)3)17(19-5)15-9-10-16-14(11-15)8-7-13(4)20-16/h7-12,17-19H,6H2,1-5H3.
What are the key properties of 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine?
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine is sourced from PubChem (CID 116721227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).