cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone

C15H21NO2 — CID 171904648

IUPACcyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone
SMILESCCNc1cc(C(=O)C2CCCC2)ccc1OC
InChIInChI=1S/C15H21NO2/c1-3-16-13-10-12(8-9-14(13)18-2)15(17)11-6-4-5-7-11/h8-11,16H,3-7H2,1-2H3
InChIKeyTXWKZQAWLIBOLX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.50
Rot. Bonds5

About cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone

cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone (PubChem CID 171904648) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone
PubChem CID171904648
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone
SMILESCCNc1cc(C(=O)C2CCCC2)ccc1OC
InChIInChI=1S/C15H21NO2/c1-3-16-13-10-12(8-9-14(13)18-2)15(17)11-6-4-5-7-11/h8-11,16H,3-7H2,1-2H3
InChIKeyTXWKZQAWLIBOLX-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
The IUPAC name of cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone (CID 171904648) is cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone.
What is the SMILES notation for cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
The canonical SMILES for cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone is CCNc1cc(C(=O)C2CCCC2)ccc1OC.
What is the InChIKey of cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
The InChIKey is TXWKZQAWLIBOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16-13-10-12(8-9-14(13)18-2)15(17)11-6-4-5-7-11/h8-11,16H,3-7H2,1-2H3.
What are the key properties of cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(ethylamino)-4-methoxyphenyl]methanone is sourced from PubChem (CID 171904648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).