2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride

C14H21ClN2O — CID 119303310

IUPAC2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1CCN(C(=O)C(N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-7-8-16(10-11)14(17)13(15)9-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H
InChIKeyZYFOGPAPJGWNJL-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride

2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119303310) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119303310
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1CCN(C(=O)C(N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-7-8-16(10-11)14(17)13(15)9-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H
InChIKeyZYFOGPAPJGWNJL-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
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(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
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2-amino-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
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2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
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(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119303310) is 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride is CC1CCN(C(=O)C(N)Cc2ccccc2)C1.Cl.
What is the InChIKey of 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is ZYFOGPAPJGWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-7-8-16(10-11)14(17)13(15)9-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H.
What are the key properties of 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119303310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).