4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one

C13H18FNO — CID 114347338

IUPAC4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
SMILESCc1cc(F)ccc1CC(=O)CCN(C)C
InChIInChI=1S/C13H18FNO/c1-10-8-12(14)5-4-11(10)9-13(16)6-7-15(2)3/h4-5,8H,6-7,9H2,1-3H3
InChIKeySBLJSNTYMXXCGR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.20
Rot. Bonds5

About 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one

4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one (PubChem CID 114347338) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
PubChem CID114347338
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
SMILESCc1cc(F)ccc1CC(=O)CCN(C)C
InChIInChI=1S/C13H18FNO/c1-10-8-12(14)5-4-11(10)9-13(16)6-7-15(2)3/h4-5,8H,6-7,9H2,1-3H3
InChIKeySBLJSNTYMXXCGR-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)-1-(4-fluoro-2-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-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347174
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
4-[(4-fluoro-2-methylphenyl)methyl-methylamino]butanoic acid
CID 65067973
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one (CID 114347338) is 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one is Cc1cc(F)ccc1CC(=O)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one?
The InChIKey is SBLJSNTYMXXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-8-12(14)5-4-11(10)9-13(16)6-7-15(2)3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one?
4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one has a molecular weight of 223.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one is sourced from PubChem (CID 114347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).