2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine

C16H22N2O — CID 105378678

IUPAC2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
SMILESCCOC(C)CNCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-4-19-13(3)10-17-11-14-6-8-16-15(9-14)7-5-12(2)18-16/h5-9,13,17H,4,10-11H2,1-3H3
InChIKeyROJYQOCZWUJKGX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds6

About 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine

2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine (PubChem CID 105378678) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
PubChem CID105378678
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
SMILESCCOC(C)CNCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-4-19-13(3)10-17-11-14-6-8-16-15(9-14)7-5-12(2)18-16/h5-9,13,17H,4,10-11H2,1-3H3
InChIKeyROJYQOCZWUJKGX-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
CID 115668244
2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine (CID 105378678) is 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine is CCOC(C)CNCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The InChIKey is ROJYQOCZWUJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-19-13(3)10-17-11-14-6-8-16-15(9-14)7-5-12(2)18-16/h5-9,13,17H,4,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 105378678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).