1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride

C16H24Cl2N2O — CID 120805682

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-15(2,12-4-6-13(17)7-5-12)14(20)19-9-8-16(3,10-18)11-19;/h4-7H,8-11,18H2,1-3H3;1H
InChIKeyURKNHEWACXYPKU-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.24
Rot. Bonds3

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride (PubChem CID 120805682) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
PubChem CID120805682
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
SMILESCC1(CN)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-15(2,12-4-6-13(17)7-5-12)14(20)19-9-8-16(3,10-18)11-19;/h4-7H,8-11,18H2,1-3H3;1H
InChIKeyURKNHEWACXYPKU-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 120809711
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one;hydrochloride
CID 120804684
2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
CID 120810169
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one
CID 11717611
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 120805147
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 120804952
1-[2-(4-aminophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 80555695
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone;hydrochloride
CID 120806092
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride (CID 120805682) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride is CC1(CN)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride?
The InChIKey is URKNHEWACXYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-15(2,12-4-6-13(17)7-5-12)14(20)19-9-8-16(3,10-18)11-19;/h4-7H,8-11,18H2,1-3H3;1H.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 120805682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).