1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone

C14H20N2O — CID 55168474

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCNCC1CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15-10-13-7-8-16(11-13)14(17)9-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChIKeyFKQHUXGKZJJTOJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.30
Rot. Bonds4

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 55168474) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID55168474
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCNCC1CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-15-10-13-7-8-16(11-13)14(17)9-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChIKeyFKQHUXGKZJJTOJ-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
1-[(3S)-3-[[[(2R,6S)-2,6-dimethyloxan-4-yl]amino]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97336680
N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119539209
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119538911
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone (CID 55168474) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone is CNCC1CCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is FKQHUXGKZJJTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-10-13-7-8-16(11-13)14(17)9-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 55168474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).