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

C8H18N2O — CID 20763666

IUPAC2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCOCC(N)C1CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-10-4-3-7(5-10)8(9)6-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyFITVYXKMUAYBSH-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.09
Rot. Bonds3

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

2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine (PubChem CID 20763666) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine
PubChem CID20763666
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine
SMILESCOCC(N)C1CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-10-4-3-7(5-10)8(9)6-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyFITVYXKMUAYBSH-UHFFFAOYSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine (CID 20763666) is 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine is COCC(N)C1CCN(C)C1.
What is the InChIKey of 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is FITVYXKMUAYBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-4-3-7(5-10)8(9)6-11-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine?
2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 158.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 20763666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).