N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine

C16H22N2O2 — CID 66403711

IUPACN-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCOc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O2/c1-3-17-13-14-5-4-10-18(14)11-12-20-16-8-6-15(19-2)7-9-16/h4-10,17H,3,11-13H2,1-2H3
InChIKeyXYNBKILYCGYZLP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.69
Rot. Bonds8

About N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine

N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 66403711) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID66403711
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCOc1ccc(OC)cc1
InChIInChI=1S/C16H22N2O2/c1-3-17-13-14-5-4-10-18(14)11-12-20-16-8-6-15(19-2)7-9-16/h4-10,17H,3,11-13H2,1-2H3
InChIKeyXYNBKILYCGYZLP-UHFFFAOYSA-N
XLogP2.69
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
CID 66404052
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405662
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 66403693
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
CID 113226507
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-2-yl]methyl]ethanamine
CID 66401572
N-[[1-(2-phenoxyethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66403366
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine (CID 66403711) is N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1CCOc1ccc(OC)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is XYNBKILYCGYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-17-13-14-5-4-10-18(14)11-12-20-16-8-6-15(19-2)7-9-16/h4-10,17H,3,11-13H2,1-2H3.
What are the key properties of N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66403711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).