2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone

C14H20N2O3 — CID 103530183

IUPAC2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)COc2ccccc2CN)C1
InChIInChI=1S/C14H20N2O3/c1-18-12-6-7-16(9-12)14(17)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-10,15H2,1H3
InChIKeyDRHLIIRBIRMHCK-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.77
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone

2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone (PubChem CID 103530183) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
PubChem CID103530183
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)COc2ccccc2CN)C1
InChIInChI=1S/C14H20N2O3/c1-18-12-6-7-16(9-12)14(17)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-10,15H2,1H3
InChIKeyDRHLIIRBIRMHCK-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530186
2-[2-(aminomethyl)phenoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393220
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283261
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 103531291
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498
2-[2-(aminomethyl)phenoxy]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 30080646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone (CID 103530183) is 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone is COC1CCN(C(=O)COc2ccccc2CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is DRHLIIRBIRMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-6-7-16(9-12)14(17)10-19-13-5-3-2-4-11(13)8-15/h2-5,12H,6-10,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103530183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).