[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl](2-methoxyethyl)amine|N-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-2-methoxyethanamine|[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl](2-methoxyethyl)ami...

General Information

Structure

Molecular Formula

C₁₆H₂₂N₂O

Molecular Mass

258.35868

Exact Mass

258.17321333

Charge

InChI

InChI=1S/C16H22N2O/c1-13-11-15(12-17-9-10-19-3)14(2)18(13)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3

InChIKey

OCYLXJJSBDWZLK-UHFFFAOYSA-N

Canonic Smiles

COCCNCc1cc(n(c1C)c1ccccc1)C

Isomeric Smiles

n1(c(cc(c1C)CNCCOC)C)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3468193

LogD (pH = 7.4)

0.25645557

Log P

1.9515

Molar Refractivity

90.4013

Polarizability

31.466902

Polar Surface Area

26.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl](2-methoxyethyl)amine

Synonyms

N-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-2-methoxyethanamine

IUPAC name

[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl](2-methoxyethyl)amine

Names and Identifiers

Registration numbers

PubChem CID

43235422

PubChem SID

162219172

Registration numbers

Properties

No Data Available

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Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:124819