2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine

C16H22N2O — CID 82448512

IUPAC2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
SMILESCOCCNCc1cc(C)nc2c(C)cc(C)cc12
InChIInChI=1S/C16H22N2O/c1-11-7-12(2)16-15(8-11)14(9-13(3)18-16)10-17-5-6-19-4/h7-9,17H,5-6,10H2,1-4H3
InChIKeyUQDZVZJTTVPXBI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds5

About 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine

2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine (PubChem CID 82448512) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
PubChem CID82448512
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
SMILESCOCCNCc1cc(C)nc2c(C)cc(C)cc12
InChIInChI=1S/C16H22N2O/c1-11-7-12(2)16-15(8-11)14(9-13(3)18-16)10-17-5-6-19-4/h7-9,17H,5-6,10H2,1-4H3
InChIKeyUQDZVZJTTVPXBI-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82449491
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
4-ethyl-2,6,8-trimethylquinoline
CID 142037138
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448681
2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335149
2-methoxy-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145029
3-(2,6,8-trimethylquinolin-4-yl)propanamide
CID 82578430
N-[[5-bromo-2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 115961748
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine (CID 82448512) is 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine is COCCNCc1cc(C)nc2c(C)cc(C)cc12.
What is the InChIKey of 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine?
The InChIKey is UQDZVZJTTVPXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-7-12(2)16-15(8-11)14(9-13(3)18-16)10-17-5-6-19-4/h7-9,17H,5-6,10H2,1-4H3.
What are the key properties of 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine?
2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine has a molecular weight of 258.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 82448512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).