2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone

C14H20N2O3 — CID 103530186

IUPAC2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)COc2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2O3/c1-18-13-6-7-16(9-13)14(17)10-19-12-4-2-11(8-15)3-5-12/h2-5,13H,6-10,15H2,1H3
InChIKeyOADBSKAKIGXISY-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone

2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone (PubChem CID 103530186) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
PubChem CID103530186
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)COc2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2O3/c1-18-13-6-7-16(9-13)14(17)10-19-12-4-2-11(8-15)3-5-12/h2-5,13H,6-10,15H2,1H3
InChIKeyOADBSKAKIGXISY-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-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
2-[4-(aminomethyl)phenoxy]-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63605026
2-(4-chloro-3,5-dimethylphenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 108754234
2-[4-(aminomethyl)phenoxy]-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62988279
2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
CID 159433651
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
ethane;2-[4-(hydroxymethyl)phenoxy]-1-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethanone;propane
CID 145415545

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone (CID 103530186) is 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone is COC1CCN(C(=O)COc2ccc(CN)cc2)C1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is OADBSKAKIGXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-6-7-16(9-13)14(17)10-19-12-4-2-11(8-15)3-5-12/h2-5,13H,6-10,15H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone?
2-[4-(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-[4-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103530186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).