3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

C20H25ClN2O2 — CID 120610223

IUPAC3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCOc1ccc(C2CCN(C(=O)CCc3ccccc3N)C2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-18-9-6-15(7-10-18)17-12-13-22(14-17)20(23)11-8-16-4-2-3-5-19(16)21;/h2-7,9-10,17H,8,11-14,21H2,1H3;1H
InChIKeyFUEVEXATSOLCHS-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.65
Rot. Bonds5

About 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 120610223) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID120610223
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCOc1ccc(C2CCN(C(=O)CCc3ccccc3N)C2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-18-9-6-15(7-10-18)17-12-13-22(14-17)20(23)11-8-16-4-2-3-5-19(16)21;/h2-7,9-10,17H,8,11-14,21H2,1H3;1H
InChIKeyFUEVEXATSOLCHS-UHFFFAOYSA-N
XLogP3.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.65
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-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
3-(2-aminophenyl)-1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120613445
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
2-(2-methoxyphenyl)-1-[3-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 121147128
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
3-(2-aminophenyl)-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120611447
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-(4-tert-butylazepan-1-yl)propan-1-one
CID 120610844
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 120610223) is 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is COc1ccc(C2CCN(C(=O)CCc3ccccc3N)C2)cc1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is FUEVEXATSOLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-24-18-9-6-15(7-10-18)17-12-13-22(14-17)20(23)11-8-16-4-2-3-5-19(16)21;/h2-7,9-10,17H,8,11-14,21H2,1H3;1H.
What are the key properties of 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120610223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).