4-(dimethylamino)-3-(3-methylphenyl)butan-2-one

C13H19NO — CID 57465216

IUPAC4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
SMILESCC(=O)C(CN(C)C)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-10-6-5-7-12(8-10)13(11(2)15)9-14(3)4/h5-8,13H,9H2,1-4H3
InChIKeyMCJZFDZKYAWFCA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.23
Rot. Bonds4

About 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one

4-(dimethylamino)-3-(3-methylphenyl)butan-2-one (PubChem CID 57465216) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
PubChem CID57465216
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
SMILESCC(=O)C(CN(C)C)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-10-6-5-7-12(8-10)13(11(2)15)9-14(3)4/h5-8,13H,9H2,1-4H3
InChIKeyMCJZFDZKYAWFCA-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-bis(3-methylphenyl)propan-2-one;ethane
CID 145153760
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide
CID 12623358
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983
N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
CID 20635114
methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
N-[2-hydroxy-2-(3-methylphenyl)ethyl]-N-methylnitrous amide
CID 46929630
2-(3-methylphenyl)-5-trimethylsilylpent-4-ynoic acid
CID 22170995
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one (CID 57465216) is 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one is CC(=O)C(CN(C)C)c1cccc(C)c1.
What is the InChIKey of 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one?
The InChIKey is MCJZFDZKYAWFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-5-7-12(8-10)13(11(2)15)9-14(3)4/h5-8,13H,9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one?
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(3-methylphenyl)butan-2-one is sourced from PubChem (CID 57465216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).