2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine

C13H22N2O2 — CID 79169891

IUPAC2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
SMILESCCOCCCOc1ccc(C)nc1CCN
InChIInChI=1S/C13H22N2O2/c1-3-16-9-4-10-17-13-6-5-11(2)15-12(13)7-8-14/h5-6H,3-4,7-10,14H2,1-2H3
InChIKeyRJQCREXGEYPHQA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds8

About 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine

2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine (PubChem CID 79169891) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
PubChem CID79169891
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
SMILESCCOCCCOc1ccc(C)nc1CCN
InChIInChI=1S/C13H22N2O2/c1-3-16-9-4-10-17-13-6-5-11(2)15-12(13)7-8-14/h5-6H,3-4,7-10,14H2,1-2H3
InChIKeyRJQCREXGEYPHQA-UHFFFAOYSA-N
XLogP1.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
CID 106728413
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine
CID 106439671
2-[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]ethanamine
CID 103013161
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine (CID 79169891) is 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine is CCOCCCOc1ccc(C)nc1CCN.
What is the InChIKey of 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine?
The InChIKey is RJQCREXGEYPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-16-9-4-10-17-13-6-5-11(2)15-12(13)7-8-14/h5-6H,3-4,7-10,14H2,1-2H3.
What are the key properties of 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine?
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 79169891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).