2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

C13H21N3O — CID 114937035

IUPAC2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC2C)cn1
InChIInChI=1S/C13H21N3O/c1-10-4-3-7-16(10)12(8-14)11-5-6-13(17-2)15-9-11/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3
InChIKeyFWWFMOQBKNRRNT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 114937035) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID114937035
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC2C)cn1
InChIInChI=1S/C13H21N3O/c1-10-4-3-7-16(10)12(8-14)11-5-6-13(17-2)15-9-11/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3
InChIKeyFWWFMOQBKNRRNT-UHFFFAOYSA-N
XLogP1.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 114937035) is 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is COc1ccc(C(CN)N2CCCC2C)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is FWWFMOQBKNRRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-3-7-16(10)12(8-14)11-5-6-13(17-2)15-9-11/h5-6,9-10,12H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114937035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).