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

C12H17NO — CID 123921729

IUPAC1-(ethylamino)-1-phenylbutan-2-one
SMILESCCNC(C(=O)CC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-11(14)12(13-4-2)10-8-6-5-7-9-10/h5-9,12-13H,3-4H2,1-2H3
InChIKeyUCFDGARXPFWFST-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds5

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

1-(ethylamino)-1-phenylbutan-2-one (PubChem CID 123921729) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(ethylamino)-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-1-phenylbutan-2-one
PubChem CID123921729
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(ethylamino)-1-phenylbutan-2-one
SMILESCCNC(C(=O)CC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-11(14)12(13-4-2)10-8-6-5-7-9-10/h5-9,12-13H,3-4H2,1-2H3
InChIKeyUCFDGARXPFWFST-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-1-phenylbutan-2-one
CID 90470836
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
2-(butylamino)-2-phenylacetamide
CID 14569005
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
3-(ethylamino)-2,3-diphenylpropanoic acid
CID 50877823
4-[(benzylamino)-phenylmethyl]heptane-3,5-dione
CID 102397500
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
N-benzhydrylethanamine;ethane
CID 142974710
1-phenylethyl 3-(ethylamino)butanoate
CID 62828023

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-1-phenylbutan-2-one?
The IUPAC name of 1-(ethylamino)-1-phenylbutan-2-one (CID 123921729) is 1-(ethylamino)-1-phenylbutan-2-one.
What is the SMILES notation for 1-(ethylamino)-1-phenylbutan-2-one?
The canonical SMILES for 1-(ethylamino)-1-phenylbutan-2-one is CCNC(C(=O)CC)c1ccccc1.
What is the InChIKey of 1-(ethylamino)-1-phenylbutan-2-one?
The InChIKey is UCFDGARXPFWFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11(14)12(13-4-2)10-8-6-5-7-9-10/h5-9,12-13H,3-4H2,1-2H3.
What are the key properties of 1-(ethylamino)-1-phenylbutan-2-one?
1-(ethylamino)-1-phenylbutan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-1-phenylbutan-2-one is sourced from PubChem (CID 123921729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).