2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine

C11H18N2O — CID 114699562

IUPAC2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCOCCNCc1ccncc1C
InChIInChI=1S/C11H18N2O/c1-3-14-7-6-13-9-11-4-5-12-8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyOANWEDNPFBTFFX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.52
Rot. Bonds6

About 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine

2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 114699562) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID114699562
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCOCCNCc1ccncc1C
InChIInChI=1S/C11H18N2O/c1-3-14-7-6-13-9-11-4-5-12-8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyOANWEDNPFBTFFX-UHFFFAOYSA-N
XLogP1.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.52
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

N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine
CID 106452631
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
CID 114698935
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
CID 60956458
N-[(3-methyl-4-pyridinyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 114699646
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
N-ethyl-N-methyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699647
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699523

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (CID 114699562) is 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine is CCOCCNCc1ccncc1C.
What is the InChIKey of 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is OANWEDNPFBTFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-7-6-13-9-11-4-5-12-8-10(11)2/h4-5,8,13H,3,6-7,9H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.52, 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-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114699562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).