3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one

C14H21NO — CID 142196586

IUPAC3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one
SMILESCCc1ccccc1C(C)(C(C)=O)N(C)C
InChIInChI=1S/C14H21NO/c1-6-12-9-7-8-10-13(12)14(3,11(2)16)15(4)5/h7-10H,6H2,1-5H3
InChIKeyVIGWSFZQCKYGBJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.61
Rot. Bonds4

About 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one

3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one (PubChem CID 142196586) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one
PubChem CID142196586
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one
SMILESCCc1ccccc1C(C)(C(C)=O)N(C)C
InChIInChI=1S/C14H21NO/c1-6-12-9-7-8-10-13(12)14(3,11(2)16)15(4)5/h7-10H,6H2,1-5H3
InChIKeyVIGWSFZQCKYGBJ-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
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2-(dimethylamino)-2-phenylpropanoic acid
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(2S)-2-(dimethylamino)-2-phenylpropanoic acid
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2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
CID 156763097
N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide
CID 130468385
3-(2-ethylphenyl)pentane-3-sulfonic acid
CID 151121032
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
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[(2-ethylphenyl)-dihydroxymethyl] benzoate
CID 54176841

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one?
The IUPAC name of 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one (CID 142196586) is 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one is CCc1ccccc1C(C)(C(C)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one?
The InChIKey is VIGWSFZQCKYGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-6-12-9-7-8-10-13(12)14(3,11(2)16)15(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one?
3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one is sourced from PubChem (CID 142196586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).