2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone

C14H20N2O — CID 79189038

IUPAC2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2N)CC1C
InChIInChI=1S/C14H20N2O/c1-10-8-16(9-11(10)2)14(17)7-12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyBDQMMQFJKHRWDT-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.93
Rot. Bonds2

About 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone

2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 79189038) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
PubChem CID79189038
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccccc2N)CC1C
InChIInChI=1S/C14H20N2O/c1-10-8-16(9-11(10)2)14(17)7-12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyBDQMMQFJKHRWDT-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.93
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

2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931485
2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114591829
2-(2-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204617
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
1-[2-(2-hydroxyphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 80741465
2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 61428012
2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 132649528
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
3-(2-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369332
1-[3-[[1-adamantylmethyl(methyl)amino]methyl]azetidin-1-yl]-2-(2-aminophenyl)ethanone
CID 160709205
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone (CID 79189038) is 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone is CC1CN(C(=O)Cc2ccccc2N)CC1C.
What is the InChIKey of 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is BDQMMQFJKHRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-16(9-11(10)2)14(17)7-12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,15H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79189038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).