2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride

C17H25ClF3N3O2 — CID 120771688

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C17H24F3N3O2.ClH/c1-16(11-21)7-9-23(12-16)10-15(24)22-8-6-13-2-4-14(5-3-13)25-17(18,19)20;/h2-5H,6-12,21H2,1H3,(H,22,24);1H
InChIKeyRUAOZOWTHQXAIB-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.34
Rot. Bonds7

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 120771688) has the molecular formula C17H25ClF3N3O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
PubChem CID120771688
Molecular FormulaC17H25ClF3N3O2
Molecular Weight395.85 g/mol
Exact Mass395.16
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C17H24F3N3O2.ClH/c1-16(11-21)7-9-23(12-16)10-15(24)22-8-6-13-2-4-14(5-3-13)25-17(18,19)20;/h2-5H,6-12,21H2,1H3,(H,22,24);1H
InChIKeyRUAOZOWTHQXAIB-UHFFFAOYSA-N
XLogP2.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120771393
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120803909
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-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120774148
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclohexylethyl)acetamide;hydrochloride
CID 120772426
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 78903213
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride (CID 120771688) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride is CC1(CN)CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is RUAOZOWTHQXAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2.ClH/c1-16(11-21)7-9-23(12-16)10-15(24)22-8-6-13-2-4-14(5-3-13)25-17(18,19)20;/h2-5H,6-12,21H2,1H3,(H,22,24);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 395.85 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120771688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).