2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one

C16H24N2O — CID 106591734

IUPAC2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCC(C)N1C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-4-15-9-8-11(2)18(15)16(19)12(3)13-6-5-7-14(17)10-13/h5-7,10-12,15H,4,8-9,17H2,1-3H3
InChIKeyLJPZLCYPRNXGAC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one

2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 106591734) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
PubChem CID106591734
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCC(C)N1C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-4-15-9-8-11(2)18(15)16(19)12(3)13-6-5-7-14(17)10-13/h5-7,10-12,15H,4,8-9,17H2,1-3H3
InChIKeyLJPZLCYPRNXGAC-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 106591460
(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
CID 89477379
2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
2-(3-aminophenyl)-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 106591777
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
CID 106591103
4-[2-(3-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 106591584
2-(3-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 106591398
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one (CID 106591734) is 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one is CCC1CCC(C)N1C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is LJPZLCYPRNXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-15-9-8-11(2)18(15)16(19)12(3)13-6-5-7-14(17)10-13/h5-7,10-12,15H,4,8-9,17H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one?
2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 106591734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).