1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone

C17H25NO2 — CID 22978354

IUPAC1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone
SMILESCCC1(CC(=O)c2ccc(OCCN)cc2)CCCC1
InChIInChI=1S/C17H25NO2/c1-2-17(9-3-4-10-17)13-16(19)14-5-7-15(8-6-14)20-12-11-18/h5-8H,2-4,9-13,18H2,1H3
InChIKeyAYHDBEVDUGELNW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.57
Rot. Bonds7

About 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone

1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone (PubChem CID 22978354) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone
PubChem CID22978354
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone
SMILESCCC1(CC(=O)c2ccc(OCCN)cc2)CCCC1
InChIInChI=1S/C17H25NO2/c1-2-17(9-3-4-10-17)13-16(19)14-5-7-15(8-6-14)20-12-11-18/h5-8H,2-4,9-13,18H2,1H3
InChIKeyAYHDBEVDUGELNW-UHFFFAOYSA-N
XLogP3.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone?
The IUPAC name of 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone (CID 22978354) is 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone is CCC1(CC(=O)c2ccc(OCCN)cc2)CCCC1.
What is the InChIKey of 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone?
The InChIKey is AYHDBEVDUGELNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-17(9-3-4-10-17)13-16(19)14-5-7-15(8-6-14)20-12-11-18/h5-8H,2-4,9-13,18H2,1H3.
What are the key properties of 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone?
1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone is sourced from PubChem (CID 22978354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).