1-(dimethylamino)-1-phenylbutan-2-one

C12H17NO — CID 57164436

IUPAC1-(dimethylamino)-1-phenylbutan-2-one
SMILESCCC(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C12H17NO/c1-4-11(14)12(13(2)3)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3
InChIKeyPIEWNNVPXFJUNM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.27
Rot. Bonds4

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

1-(dimethylamino)-1-phenylbutan-2-one (PubChem CID 57164436) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(dimethylamino)-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-phenylbutan-2-one
PubChem CID57164436
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(dimethylamino)-1-phenylbutan-2-one
SMILESCCC(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C12H17NO/c1-4-11(14)12(13(2)3)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3
InChIKeyPIEWNNVPXFJUNM-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Alpha-D2PV
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CID 875288
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CID 20461540
4-Methyldimethcathinone
CID 43794768

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-phenylbutan-2-one?
The IUPAC name of 1-(dimethylamino)-1-phenylbutan-2-one (CID 57164436) is 1-(dimethylamino)-1-phenylbutan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-phenylbutan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-phenylbutan-2-one is CCC(=O)C(c1ccccc1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-phenylbutan-2-one?
The InChIKey is PIEWNNVPXFJUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-11(14)12(13(2)3)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-phenylbutan-2-one?
1-(dimethylamino)-1-phenylbutan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-phenylbutan-2-one is sourced from PubChem (CID 57164436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).