2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide

C17H26FN3O2 — CID 120773429

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccccc1F)C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C17H26FN3O2/c1-17(12-19)7-8-21(13-17)11-16(22)20(2)9-10-23-15-6-4-3-5-14(15)18/h3-6H,7-13,19H2,1-2H3
InChIKeyYCBAKYUSQGPIHU-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.33
Rot. Bonds7

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 120773429) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID120773429
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccccc1F)C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C17H26FN3O2/c1-17(12-19)7-8-21(13-17)11-16(22)20(2)9-10-23-15-6-4-3-5-14(15)18/h3-6H,7-13,19H2,1-2H3
InChIKeyYCBAKYUSQGPIHU-UHFFFAOYSA-N
XLogP1.33
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796659
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920388
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 120772056
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
2-(4-benzoyl-1,4-diazepan-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 78897950
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 120773771
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide (CID 120773429) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccccc1F)C(=O)CN1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is YCBAKYUSQGPIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-17(12-19)7-8-21(13-17)11-16(22)20(2)9-10-23-15-6-4-3-5-14(15)18/h3-6H,7-13,19H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 323.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 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-(2-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 120773429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).