2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine

C8H14N2O — CID 54356902

IUPAC2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine
SMILESCOc1cc(CCN)cn1C
InChIInChI=1S/C8H14N2O/c1-10-6-7(3-4-9)5-8(10)11-2/h5-6H,3-4,9H2,1-2H3
InChIKeyUJSQDDCMXVURMA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.53
Rot. Bonds3

About 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine

2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine (PubChem CID 54356902) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine
PubChem CID54356902
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine
SMILESCOc1cc(CCN)cn1C
InChIInChI=1S/C8H14N2O/c1-10-6-7(3-4-9)5-8(10)11-2/h5-6H,3-4,9H2,1-2H3
InChIKeyUJSQDDCMXVURMA-UHFFFAOYSA-N
XLogP0.53
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine (CID 54356902) is 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine is COc1cc(CCN)cn1C.
What is the InChIKey of 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine?
The InChIKey is UJSQDDCMXVURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-6-7(3-4-9)5-8(10)11-2/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine?
2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine has a molecular weight of 154.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 54356902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).