[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone

C13H16BrFN2O — CID 113322442

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
SMILESCC1CC(CN)CN1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O/c1-8-4-9(6-16)7-17(8)13(18)11-3-2-10(15)5-12(11)14/h2-3,5,8-9H,4,6-7,16H2,1H3
InChIKeyQTUNMAVGOWUGRY-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.40
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone (PubChem CID 113322442) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
PubChem CID113322442
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
SMILESCC1CC(CN)CN1C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O/c1-8-4-9(6-16)7-17(8)13(18)11-3-2-10(15)5-12(11)14/h2-3,5,8-9H,4,6-7,16H2,1H3
InChIKeyQTUNMAVGOWUGRY-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)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

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 103840444
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610630
(2-bromo-4-fluorophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79404118
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
(2-bromo-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564487

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone (CID 113322442) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone is CC1CC(CN)CN1C(=O)c1ccc(F)cc1Br.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone?
The InChIKey is QTUNMAVGOWUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-4-9(6-16)7-17(8)13(18)11-3-2-10(15)5-12(11)14/h2-3,5,8-9H,4,6-7,16H2,1H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone has a molecular weight of 315.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone is sourced from PubChem (CID 113322442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).