2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C15H22FN3O — CID 120772306

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C)(CN)C2)cc1F
InChIInChI=1S/C15H22FN3O/c1-11-3-4-12(7-13(11)16)18-14(20)8-19-6-5-15(2,9-17)10-19/h3-4,7H,5-6,8-10,17H2,1-2H3,(H,18,20)
InChIKeyUJERUQRMTPLOMB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 120772306) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID120772306
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C)(CN)C2)cc1F
InChIInChI=1S/C15H22FN3O/c1-11-3-4-12(7-13(11)16)18-14(20)8-19-6-5-15(2,9-17)10-19/h3-4,7H,5-6,8-10,17H2,1-2H3,(H,18,20)
InChIKeyUJERUQRMTPLOMB-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 120772306) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC(C)(CN)C2)cc1F.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is UJERUQRMTPLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-3-4-12(7-13(11)16)18-14(20)8-19-6-5-15(2,9-17)10-19/h3-4,7H,5-6,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.74, 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-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 120772306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).