1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone

C14H20N2O2 — CID 117374092

IUPAC1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)ccc1N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-15-10-14(17)12-9-11(18-2)5-6-13(12)16-7-3-4-8-16/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyPHHRMGFQKUAQBI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds5

About 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone

1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117374092) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
PubChem CID117374092
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)ccc1N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-15-10-14(17)12-9-11(18-2)5-6-13(12)16-7-3-4-8-16/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyPHHRMGFQKUAQBI-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
(4-methoxyphenyl)-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 2915911
2-hydroxy-5-methoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 112809580
ethane;methyl 5-bromo-2-piperidin-1-ylbenzoate;N-methylpropan-1-amine
CID 144754383

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone (CID 117374092) is 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)ccc1N1CCCC1.
What is the InChIKey of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is PHHRMGFQKUAQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-10-14(17)12-9-11(18-2)5-6-13(12)16-7-3-4-8-16/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone?
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117374092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).