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

C17H24N2O — CID 105159357

IUPAC4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
SMILESCCNC(CCOCC)Cc1ccnc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-18-15(10-12-20-4-2)13-14-9-11-19-17-8-6-5-7-16(14)17/h5-9,11,15,18H,3-4,10,12-13H2,1-2H3
InChIKeyZFMUSMPKSKNZJN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.18
Rot. Bonds8

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

4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine (PubChem CID 105159357) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
PubChem CID105159357
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
SMILESCCNC(CCOCC)Cc1ccnc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-18-15(10-12-20-4-2)13-14-9-11-19-17-8-6-5-7-16(14)17/h5-9,11,15,18H,3-4,10,12-13H2,1-2H3
InChIKeyZFMUSMPKSKNZJN-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.18
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-4-ylbutan-2-amine
CID 105159304
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
N-ethyl-3-methoxy-3-methyl-1-quinolin-4-ylpentan-2-amine
CID 116757907
4-(2-ethylbutyl)quinoline
CID 143495355
1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
CID 79093124
N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
CID 102923542
N,4-dimethyl-1-quinolin-4-ylhexan-2-amine
CID 104997356
5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 79954929

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine (CID 105159357) is 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine is CCNC(CCOCC)Cc1ccnc2ccccc12.
What is the InChIKey of 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine?
The InChIKey is ZFMUSMPKSKNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-18-15(10-12-20-4-2)13-14-9-11-19-17-8-6-5-7-16(14)17/h5-9,11,15,18H,3-4,10,12-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine?
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine is sourced from PubChem (CID 105159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).