2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one

C16H24N2O — CID 80556937

IUPAC2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC1(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O/c1-15(2)10-5-11-18(15)14(19)16(3,4)12-6-8-13(17)9-7-12/h6-9H,5,10-11,17H2,1-4H3
InChIKeyHPWOYHUVCXJYDA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.95
Rot. Bonds2

About 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 80556937) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID80556937
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC1(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O/c1-15(2)10-5-11-18(15)14(19)16(3,4)12-6-8-13(17)9-7-12/h6-9H,5,10-11,17H2,1-4H3
InChIKeyHPWOYHUVCXJYDA-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.95
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

3-(4-Aminophenyl)-1-(1-pyrrolidinyl)-1-propanone
CID 847784
4-(Pyrrolidin-1-ylcarbonyl)aniline
CID 577800
3-(4'-Aminophenyl)-3-ethylpyrollidine-2,5-dione
CID 124662
3-(4-Aminophenyl)-3-methylpyrrolidine-2,5-dione
CID 13596072
2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9997232
2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 10090773
3-(4'-Aminophenyl)pyrrolidine-2,5-dione
CID 161760
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(N-methylacetamido)phenyl]-1-oxobutan-2-aminium
CID 23647710
3-(4-Amino-phenyl)-3-pentyl-piperidine-2,6-dione
CID 13660221
2-(3-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 9974346
3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione
CID 125921

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one (CID 80556937) is 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCCC1(C)C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is HPWOYHUVCXJYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2)10-5-11-18(15)14(19)16(3,4)12-6-8-13(17)9-7-12/h6-9H,5,10-11,17H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 80556937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).