4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine

C16H22N2O — CID 105097537

IUPAC4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
SMILESCCOCCCC(NC)c1cnc2ccccc2c1
InChIInChI=1S/C16H22N2O/c1-3-19-10-6-9-15(17-2)14-11-13-7-4-5-8-16(13)18-12-14/h4-5,7-8,11-12,15,17H,3,6,9-10H2,1-2H3
InChIKeyJVOMXQURWMIFOX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds7

About 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine

4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine (PubChem CID 105097537) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
PubChem CID105097537
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
SMILESCCOCCCC(NC)c1cnc2ccccc2c1
InChIInChI=1S/C16H22N2O/c1-3-19-10-6-9-15(17-2)14-11-13-7-4-5-8-16(13)18-12-14/h4-5,7-8,11-12,15,17H,3,6,9-10H2,1-2H3
InChIKeyJVOMXQURWMIFOX-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.31
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-quinolin-3-ylbutan-1-ol
CID 105079383
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
CID 105097975
(5-methyl-1-quinolin-3-ylhexyl)hydrazine
CID 114276904
N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214652
1-quinolin-3-ylnonylhydrazine
CID 105286952
3-(3-ethoxypropyl)quinoline
CID 91801315
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
1-quinolin-3-ylbutylhydrazine
CID 105202157
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine?
The IUPAC name of 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine (CID 105097537) is 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine?
The canonical SMILES for 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine is CCOCCCC(NC)c1cnc2ccccc2c1.
What is the InChIKey of 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine?
The InChIKey is JVOMXQURWMIFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-19-10-6-9-15(17-2)14-11-13-7-4-5-8-16(13)18-12-14/h4-5,7-8,11-12,15,17H,3,6,9-10H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine?
4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine is sourced from PubChem (CID 105097537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).