3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one

C16H24N2O — CID 83227880

IUPAC3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
SMILESCCC1CCC(C)N1C(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-14-10-9-12(2)18(14)16(19)15(11-17)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3
InChIKeyRLEDIOHMIVZDQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one

3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one (PubChem CID 83227880) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
PubChem CID83227880
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
SMILESCCC1CCC(C)N1C(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-14-10-9-12(2)18(14)16(19)15(11-17)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3
InChIKeyRLEDIOHMIVZDQT-UHFFFAOYSA-N
XLogP2.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
CID 89477379
2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
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1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
CID 5143900
3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
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CID 131155812
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
CID 83220867
3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one
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cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
(2R)-2-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905485
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one (CID 83227880) is 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one is CCC1CCC(C)N1C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one?
The InChIKey is RLEDIOHMIVZDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-14-10-9-12(2)18(14)16(19)15(11-17)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11,17H2,1-2H3.
What are the key properties of 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one?
3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 83227880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).