2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C16H24N2O — CID 62082064

IUPAC2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C)c(CC(CN)C(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-13(2)14(9-12)10-15(11-17)16(19)18-7-3-4-8-18/h5-6,9,15H,3-4,7-8,10-11,17H2,1-2H3
InChIKeyZLKOGVMTFYWLFR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds4

About 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one

2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62082064) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62082064
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C)c(CC(CN)C(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-13(2)14(9-12)10-15(11-17)16(19)18-7-3-4-8-18/h5-6,9,15H,3-4,7-8,10-11,17H2,1-2H3
InChIKeyZLKOGVMTFYWLFR-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
CID 62081726
2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 62082608
2-(aminomethyl)-1-(azepan-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 79584553
2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-(aminomethyl)-3-(3,5-difluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 106531741
2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897
2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62081543
2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
CID 115990294
1-(azepan-1-yl)-2-chloro-2-(2,5-dimethylphenyl)ethanone
CID 62224830
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 62082064) is 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(C)c(CC(CN)C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZLKOGVMTFYWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-6-13(2)14(9-12)10-15(11-17)16(19)18-7-3-4-8-18/h5-6,9,15H,3-4,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62082064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).