2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride

C15H23Cl2N3O — CID 120771662

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-15(10-17)6-7-19(11-15)9-14(20)18-8-12-2-4-13(16)5-3-12;/h2-5H,6-11,17H2,1H3,(H,18,20);1H
InChIKeyHMOIZTFIDGODHR-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.05
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride (PubChem CID 120771662) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
PubChem CID120771662
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-15(10-17)6-7-19(11-15)9-14(20)18-8-12-2-4-13(16)5-3-12;/h2-5H,6-11,17H2,1H3,(H,18,20);1H
InChIKeyHMOIZTFIDGODHR-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;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

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120773098
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120771393
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 120772224
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 120771390
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120773223
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride (CID 120771662) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride is CC1(CN)CCN(CC(=O)NCc2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is HMOIZTFIDGODHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.ClH/c1-15(10-17)6-7-19(11-15)9-14(20)18-8-12-2-4-13(16)5-3-12;/h2-5H,6-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120771662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).