2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one

C19H22N2O — CID 120588873

IUPAC2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
SMILESCC(N)(C(=O)N1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-19(20,17-10-6-3-7-11-17)18(22)21-13-12-16(14-21)15-8-4-2-5-9-15/h2-11,16H,12-14,20H2,1H3
InChIKeyVJVRZIDTAIJPLT-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.88
Rot. Bonds3

About 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one

2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one (PubChem CID 120588873) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
PubChem CID120588873
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
SMILESCC(N)(C(=O)N1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-19(20,17-10-6-3-7-11-17)18(22)21-13-12-16(14-21)15-8-4-2-5-9-15/h2-11,16H,12-14,20H2,1H3
InChIKeyVJVRZIDTAIJPLT-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 120597079
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one (CID 120588873) is 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one is CC(N)(C(=O)N1CCC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
The InChIKey is VJVRZIDTAIJPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(20,17-10-6-3-7-11-17)18(22)21-13-12-16(14-21)15-8-4-2-5-9-15/h2-11,16H,12-14,20H2,1H3.
What are the key properties of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one?
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 120588873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).