2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride

C18H21ClN2O — CID 119290269

IUPAC2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H20N2O.ClH/c19-17(15-9-5-2-6-10-15)18(21)20-12-11-16(13-20)14-7-3-1-4-8-14;/h1-10,16-17H,11-13,19H2;1H
InChIKeyHQOJBDJHGSLOIS-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.12
Rot. Bonds3

About 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride

2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 119290269) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID119290269
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H20N2O.ClH/c19-17(15-9-5-2-6-10-15)18(21)20-12-11-16(13-20)14-7-3-1-4-8-14;/h1-10,16-17H,11-13,19H2;1H
InChIKeyHQOJBDJHGSLOIS-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
(2S)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 104897194
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-amino-2-phenylethanone
CID 61156147
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride (CID 119290269) is 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride is Cl.NC(C(=O)N1CCC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is HQOJBDJHGSLOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c19-17(15-9-5-2-6-10-15)18(21)20-12-11-16(13-20)14-7-3-1-4-8-14;/h1-10,16-17H,11-13,19H2;1H.
What are the key properties of 2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride?
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.12, 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)ethanone;hydrochloride is sourced from PubChem (CID 119290269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).