4-(dimethylamino)-4-(4-methylphenyl)butan-2-one

C13H19NO — CID 82126356

IUPAC4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
SMILESCC(=O)CC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C13H19NO/c1-10-5-7-12(8-6-10)13(14(3)4)9-11(2)15/h5-8,13H,9H2,1-4H3
InChIKeyFHFOCZAGJBSJOD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.58
Rot. Bonds4

About 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one

4-(dimethylamino)-4-(4-methylphenyl)butan-2-one (PubChem CID 82126356) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
PubChem CID82126356
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
SMILESCC(=O)CC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C13H19NO/c1-10-5-7-12(8-6-10)13(14(3)4)9-11(2)15/h5-8,13H,9H2,1-4H3
InChIKeyFHFOCZAGJBSJOD-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-4-(4-propan-2-ylsulfanylphenyl)butan-2-one
CID 116910553
4-(3,4-dichlorophenyl)-4-(dimethylamino)butan-2-one
CID 116910574
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
4-(dimethylamino)-4-[4-(pyridin-2-ylmethyl)phenyl]butan-2-one
CID 59078586
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
3-[bis(sulfanyl)amino]-3-(4-methylphenyl)propanethioic S-acid
CID 142816806
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one (CID 82126356) is 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one is CC(=O)CC(c1ccc(C)cc1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one?
The InChIKey is FHFOCZAGJBSJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-7-12(8-6-10)13(14(3)4)9-11(2)15/h5-8,13H,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one?
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(4-methylphenyl)butan-2-one is sourced from PubChem (CID 82126356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).