2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine

C13H22N2O2 — CID 116758508

IUPAC2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1cncc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-5-13(3,17-6-2)12(14)10-7-11(16-4)9-15-8-10/h7-9,12H,5-6,14H2,1-4H3
InChIKeyCBEVNVLWICONHE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds6

About 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine

2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine (PubChem CID 116758508) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
PubChem CID116758508
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
SMILESCCOC(C)(CC)C(N)c1cncc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-5-13(3,17-6-2)12(14)10-7-11(16-4)9-15-8-10/h7-9,12H,5-6,14H2,1-4H3
InChIKeyCBEVNVLWICONHE-UHFFFAOYSA-N
XLogP2.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 116758404
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105175275
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746948
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(3,4-diethoxyphenyl)-2-ethoxy-2-methylbutan-1-amine
CID 116758530
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine (CID 116758508) is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine is CCOC(C)(CC)C(N)c1cncc(OC)c1.
What is the InChIKey of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine?
The InChIKey is CBEVNVLWICONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-13(3,17-6-2)12(14)10-7-11(16-4)9-15-8-10/h7-9,12H,5-6,14H2,1-4H3.
What are the key properties of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine?
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116758508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).