N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide

C15H23N3O2 — CID 64571252

IUPACN-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOCC1CCN(CC(=O)Nc2ccccc2CN)C1
InChIInChI=1S/C15H23N3O2/c1-20-11-12-6-7-18(9-12)10-15(19)17-14-5-3-2-4-13(14)8-16/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeyMOKYJFYODZMSTG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.05
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide

N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 64571252) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID64571252
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
SMILESCOCC1CCN(CC(=O)Nc2ccccc2CN)C1
InChIInChI=1S/C15H23N3O2/c1-20-11-12-6-7-18(9-12)10-15(19)17-14-5-3-2-4-13(14)8-16/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeyMOKYJFYODZMSTG-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
2-(4-aminopiperidin-1-yl)-N-[2-(2-methoxyethyl)phenyl]acetamide
CID 102905623
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283533
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64598916
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide (CID 64571252) is N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide is COCC1CCN(CC(=O)Nc2ccccc2CN)C1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is MOKYJFYODZMSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-11-12-6-7-18(9-12)10-15(19)17-14-5-3-2-4-13(14)8-16/h2-5,12H,6-11,16H2,1H3,(H,17,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide?
N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 64571252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).