3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride

C20H25ClN2O2 — CID 119951145

IUPAC3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCOc1ccccc1C1CCCN1C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-19-12-6-5-10-16(19)18-11-7-13-22(18)20(23)14-17(21)15-8-3-2-4-9-15;/h2-6,8-10,12,17-18H,7,11,13-14,21H2,1H3;1H
InChIKeyWLJGRYJMSSFQSW-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.87
Rot. Bonds5

About 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride

3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119951145) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119951145
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCOc1ccccc1C1CCCN1C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-24-19-12-6-5-10-16(19)18-11-7-13-22(18)20(23)14-17(21)15-8-3-2-4-9-15;/h2-6,8-10,12,17-18H,7,11,13-14,21H2,1H3;1H
InChIKeyWLJGRYJMSSFQSW-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
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3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
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3-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
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(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119951145) is 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride is COc1ccccc1C1CCCN1C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is WLJGRYJMSSFQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-24-19-12-6-5-10-16(19)18-11-7-13-22(18)20(23)14-17(21)15-8-3-2-4-9-15;/h2-6,8-10,12,17-18H,7,11,13-14,21H2,1H3;1H.
What are the key properties of 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119951145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).