4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one

C14H21NO — CID 30469812

IUPAC4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(16)10-14(2,3)12-6-8-13(9-7-12)15(4)5/h6-9H,10H2,1-5H3
InChIKeyCOBXQDXZCDNJQB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.01
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one

4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one (PubChem CID 30469812) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
PubChem CID30469812
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(16)10-14(2,3)12-6-8-13(9-7-12)15(4)5/h6-9H,10H2,1-5H3
InChIKeyCOBXQDXZCDNJQB-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
4,4'-(3-Oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenylbenzenaminium) dibromide
CID 9820
2,6-Bis(4-(dimethylamino)benzylidene)-1-cyclohexanone
CID 1550696
4-Dimethylaminoacetophenone
CID 75037
4-Dimethylamino-4'-fluorochalcone
CID 5709047
BW284C51
CID 1338
1,2-Bis(4-(dimethylamino)phenyl)ethane-1,2-dione
CID 222570
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 1551607
(E)-1-(4-dimethylaminophenyl)-3-phenylprop-2-en-1-one
CID 5356057
1-[4-(Dimethylamino)phenyl]-2-phenylethane-1,2-dione
CID 231231

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one (CID 30469812) is 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one is CC(=O)CC(C)(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one?
The InChIKey is COBXQDXZCDNJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16)10-14(2,3)12-6-8-13(9-7-12)15(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one?
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one is sourced from PubChem (CID 30469812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).