4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide

C13H19N3O — CID 113284599

IUPAC4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
SMILESCc1cc(N2CCCC2CN)ccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-7-10(4-5-12(9)13(15)17)16-6-2-3-11(16)8-14/h4-5,7,11H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeyWGMNCMYTAKYZFA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.02
Rot. Bonds3

About 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide

4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide (PubChem CID 113284599) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
PubChem CID113284599
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
SMILESCc1cc(N2CCCC2CN)ccc1C(N)=O
InChIInChI=1S/C13H19N3O/c1-9-7-10(4-5-12(9)13(15)17)16-6-2-3-11(16)8-14/h4-5,7,11H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeyWGMNCMYTAKYZFA-UHFFFAOYSA-N
XLogP1.02
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
1-(4-carbamoyl-3-methylphenyl)-2-methylpiperidine-4-carboxylic acid
CID 106742731
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
CID 63761971
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanone;hydrochloride
CID 119633721
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide
CID 103353699
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-fluorobenzenecarbothioamide
CID 115368282
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
4-[2-(aminomethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 81051866

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide?
The IUPAC name of 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide (CID 113284599) is 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide?
The canonical SMILES for 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide is Cc1cc(N2CCCC2CN)ccc1C(N)=O.
What is the InChIKey of 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide?
The InChIKey is WGMNCMYTAKYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-10(4-5-12(9)13(15)17)16-6-2-3-11(16)8-14/h4-5,7,11H,2-3,6,8,14H2,1H3,(H2,15,17).
What are the key properties of 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide?
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide is sourced from PubChem (CID 113284599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).