2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine

C17H24N2O — CID 116721238

IUPAC2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccc2ncccc2c1
InChIInChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-8-9-15-13(11-14)7-6-10-19-15/h6-12,16-18H,5H2,1-4H3
InChIKeyPJCKRECAAVCEBE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds6

About 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine

2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine (PubChem CID 116721238) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
PubChem CID116721238
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccc2ncccc2c1
InChIInChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-8-9-15-13(11-14)7-6-10-19-15/h6-12,16-18H,5H2,1-4H3
InChIKeyPJCKRECAAVCEBE-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116720092
2-ethoxy-N,3,3-trimethyl-1-quinolin-6-ylbutan-1-amine
CID 116725636
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 116721227
(2-ethoxy-3-methyl-1-quinolin-7-ylbutyl)hydrazine
CID 105272354
2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
CID 81231645
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(2-ethyl-1-quinolin-6-ylbutyl)hydrazine
CID 105218482
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2-ethoxy-N-ethyl-2-methyl-1-quinolin-6-ylpropan-1-amine
CID 116726919

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine (CID 116721238) is 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine is CCOC(C(C)C)C(NC)c1ccc2ncccc2c1.
What is the InChIKey of 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
The InChIKey is PJCKRECAAVCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-8-9-15-13(11-14)7-6-10-19-15/h6-12,16-18H,5H2,1-4H3.
What are the key properties of 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine?
2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine is sourced from PubChem (CID 116721238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).