2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride

C15H21ClF3N3O — CID 120772271

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C15H20F3N3O.ClH/c1-14(9-19)5-6-21(10-14)8-13(22)20-12-4-2-3-11(7-12)15(16,17)18;/h2-4,7H,5-6,8-10,19H2,1H3,(H,20,22);1H
InChIKeyMTVVRFZDLJSJDF-UHFFFAOYSA-N
MW351.80 g/mol
LogP2.74
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 120772271) has the molecular formula C15H21ClF3N3O and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID120772271
Molecular FormulaC15H21ClF3N3O
Molecular Weight351.80 g/mol
Exact Mass351.13
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C15H20F3N3O.ClH/c1-14(9-19)5-6-21(10-14)8-13(22)20-12-4-2-3-11(7-12)15(16,17)18;/h2-4,7H,5-6,8-10,19H2,1H3,(H,20,22);1H
InChIKeyMTVVRFZDLJSJDF-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 120772660
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 120772306
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120771279
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-butan-2-ylphenyl)acetamide;hydrochloride
CID 120772283
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120771660
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120772640
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide;hydrochloride
CID 120773821

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 120772271) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride is CC1(CN)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is MTVVRFZDLJSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O.ClH/c1-14(9-19)5-6-21(10-14)8-13(22)20-12-4-2-3-11(7-12)15(16,17)18;/h2-4,7H,5-6,8-10,19H2,1H3,(H,20,22);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 351.80 g/mol, XLogP of 2.74, 4 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-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120772271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).