1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one

C14H20N2O — CID 62063106

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
SMILESNCC1CCN(CC(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c15-9-13-6-7-16(10-13)11-14(17)8-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKeyHYKWEKOKNZOQMI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.08
Rot. Bonds5

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one (PubChem CID 62063106) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
PubChem CID62063106
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
SMILESNCC1CCN(CC(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c15-9-13-6-7-16(10-13)11-14(17)8-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKeyHYKWEKOKNZOQMI-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
CID 63170231
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 62062007
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
1-(4-benzylpiperidin-1-yl)-3-(4-phenylmethoxyphenyl)propan-2-one
CID 142660542
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62063801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one (CID 62063106) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one is NCC1CCN(CC(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
The InChIKey is HYKWEKOKNZOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-9-13-6-7-16(10-13)11-14(17)8-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one?
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one is sourced from PubChem (CID 62063106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).