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

C17H24N2O — CID 116721032

IUPAC2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1cnc2ccccc2c1
InChIInChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-10-13-8-6-7-9-15(13)19-11-14/h6-12,16-18H,5H2,1-4H3
InChIKeySXMPALPJBHMVBH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds6

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

2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine (PubChem CID 116721032) 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-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
PubChem CID116721032
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1cnc2ccccc2c1
InChIInChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-10-13-8-6-7-9-15(13)19-11-14/h6-12,16-18H,5H2,1-4H3
InChIKeySXMPALPJBHMVBH-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-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 116721227
2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
CID 116720466
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
CID 116713427
2-ethoxy-1-quinolin-3-ylbutan-1-amine
CID 116716202
2-methoxy-3-methyl-1-quinolin-3-ylbutan-1-amine
CID 116719597
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116720092
4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
CID 105097537
(2-ethoxy-2-ethyl-1-quinolin-3-ylbutyl)hydrazine
CID 105275103

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine (CID 116721032) is 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine is CCOC(C(C)C)C(NC)c1cnc2ccccc2c1.
What is the InChIKey of 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine?
The InChIKey is SXMPALPJBHMVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-20-17(12(2)3)16(18-4)14-10-13-8-6-7-9-15(13)19-11-14/h6-12,16-18H,5H2,1-4H3.
What are the key properties of 2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine?
2-ethoxy-N,3-dimethyl-1-quinolin-3-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-3-ylbutan-1-amine is sourced from PubChem (CID 116721032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).