3-[(2-fluorophenyl)methyl-methylamino]butan-2-one

C12H16FNO — CID 62037501

IUPAC3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
SMILESCC(=O)C(C)N(C)Cc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-9(10(2)15)14(3)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3
InChIKeyYRZGPDRLKPXODM-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.23
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one

3-[(2-fluorophenyl)methyl-methylamino]butan-2-one (PubChem CID 62037501) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
PubChem CID62037501
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
SMILESCC(=O)C(C)N(C)Cc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-9(10(2)15)14(3)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3
InChIKeyYRZGPDRLKPXODM-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 ≤ 500209.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 2498448
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 4879414
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 9042589
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 42888919
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one (CID 62037501) is 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one is CC(=O)C(C)N(C)Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one?
The InChIKey is YRZGPDRLKPXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(10(2)15)14(3)8-11-6-4-5-7-12(11)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one?
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one has a molecular weight of 209.26 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 3-[(2-fluorophenyl)methyl-methylamino]butan-2-one is sourced from PubChem (CID 62037501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).