1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone

C18H20N2O — CID 104528423

IUPAC1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC2c2ccccc2)cc1N
InChIInChI=1S/C18H20N2O/c1-13(21)16-10-9-15(12-17(16)19)20-11-5-8-18(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,19H2,1H3
InChIKeyGJPHWWIEVBWVCE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.81
Rot. Bonds3

About 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone

1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 104528423) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID104528423
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCC2c2ccccc2)cc1N
InChIInChI=1S/C18H20N2O/c1-13(21)16-10-9-15(12-17(16)19)20-11-5-8-18(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,19H2,1H3
InChIKeyGJPHWWIEVBWVCE-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone
CID 104528687
1-(4-acetyl-3-aminophenyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194527
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727707
1,2-diphenylpyrrolidine;ethanol
CID 67627522
1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
CID 104528189
1-[2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 104528817
5-methyl-2-(2-phenylpyrrolidin-1-yl)pyridin-3-amine
CID 66279518
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone (CID 104528423) is 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCCC2c2ccccc2)cc1N.
What is the InChIKey of 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is GJPHWWIEVBWVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(21)16-10-9-15(12-17(16)19)20-11-5-8-18(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,19H2,1H3.
What are the key properties of 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone?
1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 104528423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).