1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone

C18H22N2O2 — CID 119648574

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCNCC1CCCN1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2/c1-19-12-16-7-4-10-20(16)18(21)13-22-17-9-8-14-5-2-3-6-15(14)11-17/h2-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,1H3
InChIKeyDPOJITYTRIUOPV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 119648574) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID119648574
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCNCC1CCCN1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2/c1-19-12-16-7-4-10-20(16)18(21)13-22-17-9-8-14-5-2-3-6-15(14)11-17/h2-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,1H3
InChIKeyDPOJITYTRIUOPV-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
2-(4-chlorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650438
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 119649621
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119648660
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119651466
2-(2,6-dimethylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124596074
2-(2,4-difluorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649656
2-(2-methoxy-4-methylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124684857
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 95270021
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone (CID 119648574) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone is CNCC1CCCN1C(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is DPOJITYTRIUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-12-16-7-4-10-20(16)18(21)13-22-17-9-8-14-5-2-3-6-15(14)11-17/h2-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,1H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 298.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 119648574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).