2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone

C15H22N2O2 — CID 54896178

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOCc1cccc(CNCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-19-12-14-6-4-5-13(9-14)10-16-11-15(18)17-7-2-3-8-17/h4-6,9,16H,2-3,7-8,10-12H2,1H3
InChIKeyPPPDFZSKGFIZAL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.54
Rot. Bonds6

About 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone

2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 54896178) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID54896178
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOCc1cccc(CNCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-19-12-14-6-4-5-13(9-14)10-16-11-15(18)17-7-2-3-8-17/h4-6,9,16H,2-3,7-8,10-12H2,1H3
InChIKeyPPPDFZSKGFIZAL-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanone
CID 107230604
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 79033050
2-[(3-bromo-4-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112684699
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
2-[(3,4-dibromophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113255289
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
2-[(4-methylsulfonylphenyl)methylamino]-1-piperidin-1-ylethanone
CID 61066727
1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylamino]ethanone
CID 62316930

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone (CID 54896178) is 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone is COCc1cccc(CNCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is PPPDFZSKGFIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-12-14-6-4-5-13(9-14)10-16-11-15(18)17-7-2-3-8-17/h4-6,9,16H,2-3,7-8,10-12H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone?
2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 54896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).