1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine

C16H22N2O2 — CID 66405662

IUPAC1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
SMILESCOc1ccc(OCCn2cccc2CC(C)N)cc1
InChIInChI=1S/C16H22N2O2/c1-13(17)12-14-4-3-9-18(14)10-11-20-16-7-5-15(19-2)6-8-16/h3-9,13H,10-12,17H2,1-2H3
InChIKeyWKYLXHIMAKOBGS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.47
Rot. Bonds7

About 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine

1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine (PubChem CID 66405662) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
PubChem CID66405662
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
SMILESCOc1ccc(OCCn2cccc2CC(C)N)cc1
InChIInChI=1S/C16H22N2O2/c1-13(17)12-14-4-3-9-18(14)10-11-20-16-7-5-15(19-2)6-8-16/h3-9,13H,10-12,17H2,1-2H3
InChIKeyWKYLXHIMAKOBGS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine (CID 66405662) is 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine is COc1ccc(OCCn2cccc2CC(C)N)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is WKYLXHIMAKOBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(17)12-14-4-3-9-18(14)10-11-20-16-7-5-15(19-2)6-8-16/h3-9,13H,10-12,17H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 274.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66405662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).