2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine

C9H16N2O — CID 66406663

IUPAC2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
SMILESCOCCn1cccc1CCN
InChIInChI=1S/C9H16N2O/c1-12-8-7-11-6-2-3-9(11)4-5-10/h2-3,6H,4-5,7-8,10H2,1H3
InChIKeyKUVKMFKTRHBGGV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.64
Rot. Bonds5

About 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine

2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine (PubChem CID 66406663) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
PubChem CID66406663
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
SMILESCOCCn1cccc1CCN
InChIInChI=1S/C9H16N2O/c1-12-8-7-11-6-2-3-9(11)4-5-10/h2-3,6H,4-5,7-8,10H2,1H3
InChIKeyKUVKMFKTRHBGGV-UHFFFAOYSA-N
XLogP0.64
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine (CID 66406663) is 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine is COCCn1cccc1CCN.
What is the InChIKey of 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine?
The InChIKey is KUVKMFKTRHBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-12-8-7-11-6-2-3-9(11)4-5-10/h2-3,6H,4-5,7-8,10H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine?
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 66406663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).