3-(ethylamino)-3-methyl-1-phenylbutan-2-one

C13H19NO — CID 116565964

IUPAC3-(ethylamino)-3-methyl-1-phenylbutan-2-one
SMILESCCNC(C)(C)C(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-4-14-13(2,3)12(15)10-11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKeyOFHFIWDZKYDMGD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.19
Rot. Bonds5

About 3-(ethylamino)-3-methyl-1-phenylbutan-2-one

3-(ethylamino)-3-methyl-1-phenylbutan-2-one (PubChem CID 116565964) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(ethylamino)-3-methyl-1-phenylbutan-2-one.

Molecular Properties

Compound Name3-(ethylamino)-3-methyl-1-phenylbutan-2-one
PubChem CID116565964
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(ethylamino)-3-methyl-1-phenylbutan-2-one
SMILESCCNC(C)(C)C(=O)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-4-14-13(2,3)12(15)10-11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKeyOFHFIWDZKYDMGD-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(ethylamino)-3-methylbutan-2-one
CID 116566201
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
3-methoxy-3-methyl-1-phenylpentan-2-one
CID 116746653
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
CID 62834631
N-ethylethanamine;2-phenylacetic acid
CID 143630479
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784
3-ethoxy-3-methyl-1-phenylpentan-2-one
CID 116746963
(2S,3S)-2,3-dihydroxy-2,3-bis(2-phenylacetyl)butanedioic acid
CID 141194460
2-(ethylamino)-N-[(2-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114332310
methyl 5,5-dimethyl-4-oxo-2-(2-phenylacetyl)hexanoate
CID 11709068
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-methyl-1-phenylbutan-2-one?
The IUPAC name of 3-(ethylamino)-3-methyl-1-phenylbutan-2-one (CID 116565964) is 3-(ethylamino)-3-methyl-1-phenylbutan-2-one.
What is the SMILES notation for 3-(ethylamino)-3-methyl-1-phenylbutan-2-one?
The canonical SMILES for 3-(ethylamino)-3-methyl-1-phenylbutan-2-one is CCNC(C)(C)C(=O)Cc1ccccc1.
What is the InChIKey of 3-(ethylamino)-3-methyl-1-phenylbutan-2-one?
The InChIKey is OFHFIWDZKYDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-13(2,3)12(15)10-11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3.
What are the key properties of 3-(ethylamino)-3-methyl-1-phenylbutan-2-one?
3-(ethylamino)-3-methyl-1-phenylbutan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-methyl-1-phenylbutan-2-one is sourced from PubChem (CID 116565964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).