2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one

C15H21NO2 — CID 52911279

IUPAC2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one
SMILESCCNC1(c2cccc(OC)c2)CCCCC1=O
InChIInChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKeyLPKTWLVEGBNOOX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds4

About 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one

2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one (PubChem CID 52911279) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one
PubChem CID52911279
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one
SMILESCCNC1(c2cccc(OC)c2)CCCCC1=O
InChIInChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3
InChIKeyLPKTWLVEGBNOOX-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one (CID 52911279) is 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one is CCNC1(c2cccc(OC)c2)CCCCC1=O.
What is the InChIKey of 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one?
The InChIKey is LPKTWLVEGBNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one?
2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 52911279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).