2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone

C16H24N2O2 — CID 43266232

IUPAC2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccccc1CN
InChIInChI=1S/C16H24N2O2/c1-2-14-8-5-6-10-18(14)16(19)12-20-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10-12,17H2,1H3
InChIKeyXFAQJVQEQDYPNT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.32
Rot. Bonds5

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

2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 43266232) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID43266232
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccccc1CN
InChIInChI=1S/C16H24N2O2/c1-2-14-8-5-6-10-18(14)16(19)12-20-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10-12,17H2,1H3
InChIKeyXFAQJVQEQDYPNT-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107211770
2-[2-(aminomethyl)phenoxy]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107211766
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-[2-(aminomethyl)phenoxy]ethanone
CID 65319049
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 119468678
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone (CID 43266232) is 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is XFAQJVQEQDYPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14-8-5-6-10-18(14)16(19)12-20-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10-12,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone?
2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43266232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).