1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

C16H24N2O2 — CID 63207254

IUPAC1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)CCN2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-17(10-11-18-8-3-4-9-18)13-16(19)14-6-5-7-15(12-14)20-2/h5-7,12H,3-4,8-11,13H2,1-2H3
InChIKeyHSPHCFSQYLEVJE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.91
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone

1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (PubChem CID 63207254) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
PubChem CID63207254
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCOc1cccc(C(=O)CN(C)CCN2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-17(10-11-18-8-3-4-9-18)13-16(19)14-6-5-7-15(12-14)20-2/h5-7,12H,3-4,8-11,13H2,1-2H3
InChIKeyHSPHCFSQYLEVJE-UHFFFAOYSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207519
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486262
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
CID 20934287
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (CID 63207254) is 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is COc1cccc(C(=O)CN(C)CCN2CCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The InChIKey is HSPHCFSQYLEVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(10-11-18-8-3-4-9-18)13-16(19)14-6-5-7-15(12-14)20-2/h5-7,12H,3-4,8-11,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is sourced from PubChem (CID 63207254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).