3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine

C16H22N2O — CID 105097975

IUPAC3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
SMILESCCNC(CCOCC)c1cnc2ccccc2c1
InChIInChI=1S/C16H22N2O/c1-3-17-16(9-10-19-4-2)14-11-13-7-5-6-8-15(13)18-12-14/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3
InChIKeyBUOLDIHRJSAJJF-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds7

About 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine

3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine (PubChem CID 105097975) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
PubChem CID105097975
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
SMILESCCNC(CCOCC)c1cnc2ccccc2c1
InChIInChI=1S/C16H22N2O/c1-3-17-16(9-10-19-4-2)14-11-13-7-5-6-8-15(13)18-12-14/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3
InChIKeyBUOLDIHRJSAJJF-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-N-methyl-1-quinolin-3-ylbutan-1-amine
CID 105097537
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903
N-ethyl-3,4,4-trimethyl-1-quinolin-3-ylpentan-1-amine
CID 115797681
3-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 105172706
N-ethyl-2-pyridin-4-yl-1-quinolin-3-ylethanamine
CID 62551242
1-quinolin-3-ylbutylhydrazine
CID 105202157
N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
CID 60923858
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
1-quinolin-3-ylnonylhydrazine
CID 105286952
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine (CID 105097975) is 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine is CCNC(CCOCC)c1cnc2ccccc2c1.
What is the InChIKey of 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine?
The InChIKey is BUOLDIHRJSAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-17-16(9-10-19-4-2)14-11-13-7-5-6-8-15(13)18-12-14/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine?
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-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 3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine is sourced from PubChem (CID 105097975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).