2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one

C15H19NO — CID 12604684

IUPAC2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one
SMILESCCNC1=C(c2ccc(C)cc2)CCCC1=O
InChIInChI=1S/C15H19NO/c1-3-16-15-13(5-4-6-14(15)17)12-9-7-11(2)8-10-12/h7-10,16H,3-6H2,1-2H3
InChIKeyBTQDMNUGAJGNAM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.07
Rot. Bonds3

About 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one

2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one (PubChem CID 12604684) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one
PubChem CID12604684
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one
SMILESCCNC1=C(c2ccc(C)cc2)CCCC1=O
InChIInChI=1S/C15H19NO/c1-3-16-15-13(5-4-6-14(15)17)12-9-7-11(2)8-10-12/h7-10,16H,3-6H2,1-2H3
InChIKeyBTQDMNUGAJGNAM-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one (CID 12604684) is 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one is CCNC1=C(c2ccc(C)cc2)CCCC1=O.
What is the InChIKey of 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one?
The InChIKey is BTQDMNUGAJGNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-16-15-13(5-4-6-14(15)17)12-9-7-11(2)8-10-12/h7-10,16H,3-6H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one?
2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 12604684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).