[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

C13H17FN2O — CID 124517231

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2CN)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-9-4-5-11(12(14)7-9)13(17)16-6-2-3-10(16)8-15/h4-5,7,10H,2-3,6,8,15H2,1H3/t10-/m1/s1
InChIKeySKKPYCZPKPUDBE-SNVBAGLBSA-N
MW236.29 g/mol
LogP1.70
Rot. Bonds2

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 124517231) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID124517231
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC[C@@H]2CN)c(F)c1
InChIInChI=1S/C13H17FN2O/c1-9-4-5-11(12(14)7-9)13(17)16-6-2-3-10(16)8-15/h4-5,7,10H,2-3,6,8,15H2,1H3/t10-/m1/s1
InChIKeySKKPYCZPKPUDBE-SNVBAGLBSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone 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

[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
(2-fluoro-5-methylphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546955
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633332
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
[2-(aminomethyl)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 63754525
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 80504889

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone (CID 124517231) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC[C@@H]2CN)c(F)c1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is SKKPYCZPKPUDBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-4-5-11(12(14)7-9)13(17)16-6-2-3-10(16)8-15/h4-5,7,10H,2-3,6,8,15H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 124517231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).