N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine

C17H24N2O2 — CID 66406743

IUPACN-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(CCOc2ccccc2OCC)c1
InChIInChI=1S/C17H24N2O2/c1-3-18-13-15-9-10-19(14-15)11-12-21-17-8-6-5-7-16(17)20-4-2/h5-10,14,18H,3-4,11-13H2,1-2H3
InChIKeyYUERLRHTCOSVGY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.08
Rot. Bonds9

About N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine

N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 66406743) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID66406743
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(CCOc2ccccc2OCC)c1
InChIInChI=1S/C17H24N2O2/c1-3-18-13-15-9-10-19(14-15)11-12-21-17-8-6-5-7-16(17)20-4-2/h5-10,14,18H,3-4,11-13H2,1-2H3
InChIKeyYUERLRHTCOSVGY-UHFFFAOYSA-N
XLogP3.08
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406724
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
CID 79109199
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414575
4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
CID 106720878
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine (CID 66406743) is N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(CCOc2ccccc2OCC)c1.
What is the InChIKey of N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is YUERLRHTCOSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18-13-15-9-10-19(14-15)11-12-21-17-8-6-5-7-16(17)20-4-2/h5-10,14,18H,3-4,11-13H2,1-2H3.
What are the key properties of N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine?
N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66406743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).