N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine

C17H24N2O2 — CID 79108535

IUPACN-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCOc1ccccc1OC
InChIInChI=1S/C17H24N2O2/c1-4-18-14(2)15-8-7-11-19(15)12-13-21-17-10-6-5-9-16(17)20-3/h5-11,14,18H,4,12-13H2,1-3H3
InChIKeyPQLYKCJTEUDBFB-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.25
Rot. Bonds8

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

N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine (PubChem CID 79108535) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
PubChem CID79108535
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1CCOc1ccccc1OC
InChIInChI=1S/C17H24N2O2/c1-4-18-14(2)15-8-7-11-19(15)12-13-21-17-10-6-5-9-16(17)20-3/h5-11,14,18H,4,12-13H2,1-3H3
InChIKeyPQLYKCJTEUDBFB-UHFFFAOYSA-N
XLogP3.25
TPSA35.42 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79102917
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
CID 114652751
3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one
CID 114761431
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
CID 82928164
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine (CID 79108535) is N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1CCOc1ccccc1OC.
What is the InChIKey of N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
The InChIKey is PQLYKCJTEUDBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-18-14(2)15-8-7-11-19(15)12-13-21-17-10-6-5-9-16(17)20-3/h5-11,14,18H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79108535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).