3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one

C15H23NO — CID 116592649

IUPAC3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one
SMILESCCc1ccc(CC(=O)C(N)(CC)CC)cc1
InChIInChI=1S/C15H23NO/c1-4-12-7-9-13(10-8-12)11-14(17)15(16,5-2)6-3/h7-10H,4-6,11,16H2,1-3H3
InChIKeyYRWRJTLJHBIFRY-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.88
Rot. Bonds6

About 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one

3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one (PubChem CID 116592649) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one
PubChem CID116592649
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one
SMILESCCc1ccc(CC(=O)C(N)(CC)CC)cc1
InChIInChI=1S/C15H23NO/c1-4-12-7-9-13(10-8-12)11-14(17)15(16,5-2)6-3/h7-10H,4-6,11,16H2,1-3H3
InChIKeyYRWRJTLJHBIFRY-UHFFFAOYSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 116592721
3-amino-3-ethyl-1-(3-methylphenyl)pentan-2-one
CID 116592724
3-amino-3-ethyl-1-naphthalen-1-ylpentan-2-one
CID 116592613
1-(4-ethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056191
1-(4-ethylphenyl)butane-2,3-dione
CID 83697691
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
3-(aminomethyl)-1-(4-chlorophenyl)-3-ethylpentan-2-one
CID 116603686
4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
CID 116573662
1-[4-(4-ethylphenyl)phenyl]butan-2-one
CID 142075756

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one (CID 116592649) is 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one is CCc1ccc(CC(=O)C(N)(CC)CC)cc1.
What is the InChIKey of 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one?
The InChIKey is YRWRJTLJHBIFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-12-7-9-13(10-8-12)11-14(17)15(16,5-2)6-3/h7-10H,4-6,11,16H2,1-3H3.
What are the key properties of 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one?
3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-(4-ethylphenyl)pentan-2-one is sourced from PubChem (CID 116592649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).