1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one

C14H21NO — CID 23385533

IUPAC1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
SMILESCc1ccc(N(C)C)cc1C(=O)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-10-7-8-11(15(5)6)9-12(10)13(16)14(2,3)4/h7-9H,1-6H3
InChIKeyOMQDNVKAIBALNN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.29
Rot. Bonds2

About 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one

1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one (PubChem CID 23385533) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
PubChem CID23385533
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
SMILESCc1ccc(N(C)C)cc1C(=O)C(C)(C)C
InChIInChI=1S/C14H21NO/c1-10-7-8-11(15(5)6)9-12(10)13(16)14(2,3)4/h7-9H,1-6H3
InChIKeyOMQDNVKAIBALNN-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7031
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4-(Dimethylamino)benzophenone
CID 10737
2-(4-(Dimethylamino)benzylidene)-1-indanone
CID 5388521
4-Dimethylaminoacetophenone
CID 75037
m-(N,N,N-Trimethylammonio)trifluoroacetophenone
CID 5492
4-Dimethylamino-4'-fluorochalcone
CID 5709047
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 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one (CID 23385533) is 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one is Cc1ccc(N(C)C)cc1C(=O)C(C)(C)C.
What is the InChIKey of 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one?
The InChIKey is OMQDNVKAIBALNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-8-11(15(5)6)9-12(10)13(16)14(2,3)4/h7-9H,1-6H3.
What are the key properties of 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one?
1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23385533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).