2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one

C14H21NO — CID 116592559

IUPAC2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO/c1-5-14(15,6-2)13(16)12-8-10(3)7-11(4)9-12/h7-9H,5-6,15H2,1-4H3
InChIKeyMRQINCGKUMFTOU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one

2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one (PubChem CID 116592559) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one
PubChem CID116592559
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO/c1-5-14(15,6-2)13(16)12-8-10(3)7-11(4)9-12/h7-9H,5-6,15H2,1-4H3
InChIKeyMRQINCGKUMFTOU-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one?
The IUPAC name of 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one (CID 116592559) is 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one is CCC(N)(CC)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one?
The InChIKey is MRQINCGKUMFTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-14(15,6-2)13(16)12-8-10(3)7-11(4)9-12/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one?
2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one is sourced from PubChem (CID 116592559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).