1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine

C16H22N2O2 — CID 79102917

IUPAC1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
SMILESCCOc1ccccc1OCCn1cccc1C(C)N
InChIInChI=1S/C16H22N2O2/c1-3-19-15-8-4-5-9-16(15)20-12-11-18-10-6-7-14(18)13(2)17/h4-10,13H,3,11-12,17H2,1-2H3
InChIKeyZWDIUPBOGSHHDZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.99
Rot. Bonds7

About 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine

1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine (PubChem CID 79102917) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
PubChem CID79102917
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
SMILESCCOc1ccccc1OCCn1cccc1C(C)N
InChIInChI=1S/C16H22N2O2/c1-3-19-15-8-4-5-9-16(15)20-12-11-18-10-6-7-14(18)13(2)17/h4-10,13H,3,11-12,17H2,1-2H3
InChIKeyZWDIUPBOGSHHDZ-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine (CID 79102917) is 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine is CCOc1ccccc1OCCn1cccc1C(C)N.
What is the InChIKey of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
The InChIKey is ZWDIUPBOGSHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-19-15-8-4-5-9-16(15)20-12-11-18-10-6-7-14(18)13(2)17/h4-10,13H,3,11-12,17H2,1-2H3.
What are the key properties of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).