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

C17H24N2O2 — CID 66404052

IUPAC1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CCOc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O2/c1-3-14(18)13-15-5-4-10-19(15)11-12-21-17-8-6-16(20-2)7-9-17/h4-10,14H,3,11-13,18H2,1-2H3
InChIKeyZZWBTYBTXSIBID-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds8

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

1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine (PubChem CID 66404052) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
PubChem CID66404052
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CCOc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O2/c1-3-14(18)13-15-5-4-10-19(15)11-12-21-17-8-6-16(20-2)7-9-17/h4-10,14H,3,11-13,18H2,1-2H3
InChIKeyZZWBTYBTXSIBID-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
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]butan-2-amine?
The IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine (CID 66404052) is 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1CCOc1ccc(OC)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine?
The InChIKey is ZZWBTYBTXSIBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14(18)13-15-5-4-10-19(15)11-12-21-17-8-6-16(20-2)7-9-17/h4-10,14H,3,11-13,18H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine?
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.86, 8 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]butan-2-amine is sourced from PubChem (CID 66404052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).