4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine

C16H22N2O — CID 105172287

IUPAC4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
SMILESCCOCCCC(N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-3-19-10-4-5-15(17)13-8-9-16-14(11-13)7-6-12(2)18-16/h6-9,11,15H,3-5,10,17H2,1-2H3
InChIKeyIIXQWELUCCSGNQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.36
Rot. Bonds6

About 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine

4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine (PubChem CID 105172287) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
PubChem CID105172287
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
SMILESCCOCCCC(N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H22N2O/c1-3-19-10-4-5-15(17)13-8-9-16-14(11-13)7-6-12(2)18-16/h6-9,11,15H,3-5,10,17H2,1-2H3
InChIKeyIIXQWELUCCSGNQ-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.36
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

[4-ethoxy-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 105327215
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172258
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine?
The IUPAC name of 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine (CID 105172287) is 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine?
The canonical SMILES for 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine is CCOCCCC(N)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine?
The InChIKey is IIXQWELUCCSGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-19-10-4-5-15(17)13-8-9-16-14(11-13)7-6-12(2)18-16/h6-9,11,15H,3-5,10,17H2,1-2H3.
What are the key properties of 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine?
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine is sourced from PubChem (CID 105172287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).