2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide

C16H23F2N3O2 — CID 120772820

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCC(C)(CN)C1
InChIInChI=1S/C16H23F2N3O2/c1-11(21-8-7-16(2,9-19)10-21)14(22)20-12-5-3-4-6-13(12)23-15(17)18/h3-6,11,15H,7-10,19H2,1-2H3,(H,20,22)
InChIKeyYGJGTVBDLWZYKH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.29
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide (PubChem CID 120772820) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
PubChem CID120772820
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N1CCC(C)(CN)C1
InChIInChI=1S/C16H23F2N3O2/c1-11(21-8-7-16(2,9-19)10-21)14(22)20-12-5-3-4-6-13(12)23-15(17)18/h3-6,11,15H,7-10,19H2,1-2H3,(H,20,22)
InChIKeyYGJGTVBDLWZYKH-UHFFFAOYSA-N
XLogP2.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[2-(difluoromethoxy)phenyl]ethanone
CID 120804939
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 120773515
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide (CID 120772820) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccccc1OC(F)F)N1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide?
The InChIKey is YGJGTVBDLWZYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-11(21-8-7-16(2,9-19)10-21)14(22)20-12-5-3-4-6-13(12)23-15(17)18/h3-6,11,15H,7-10,19H2,1-2H3,(H,20,22).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.29, 6 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-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 120772820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).