4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine

C16H22N2O — CID 105159304

IUPAC4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
SMILESCCOCCC(Cc1ccnc2ccccc12)NC
InChIInChI=1S/C16H22N2O/c1-3-19-11-9-14(17-2)12-13-8-10-18-16-7-5-4-6-15(13)16/h4-8,10,14,17H,3,9,11-12H2,1-2H3
InChIKeyMADLDLSETGLKQZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.79
Rot. Bonds7

About 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine

4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine (PubChem CID 105159304) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
PubChem CID105159304
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine
SMILESCCOCCC(Cc1ccnc2ccccc12)NC
InChIInChI=1S/C16H22N2O/c1-3-19-11-9-14(17-2)12-13-8-10-18-16-7-5-4-6-15(13)16/h4-8,10,14,17H,3,9,11-12H2,1-2H3
InChIKeyMADLDLSETGLKQZ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
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-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 79954929
N,4-dimethyl-1-quinolin-4-ylhexan-2-amine
CID 104997356
1-cyclopropyl-1-ethoxy-N-methyl-3-quinolin-4-ylpropan-2-amine
CID 116723331
3-ethyl-3-methoxy-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 116760813
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
4-(2-ethylbutyl)quinoline
CID 143495355
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
4-ethoxy-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61078393
N,N-diethyl-3-hydrazinyl-4-quinolin-4-ylbutan-1-amine
CID 105244083
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine (CID 105159304) is 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine is CCOCCC(Cc1ccnc2ccccc12)NC.
What is the InChIKey of 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine?
The InChIKey is MADLDLSETGLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-19-11-9-14(17-2)12-13-8-10-18-16-7-5-4-6-15(13)16/h4-8,10,14,17H,3,9,11-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine?
4-ethoxy-N-methyl-1-quinolin-4-ylbutan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.79, 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-4-ylbutan-2-amine is sourced from PubChem (CID 105159304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).