6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one

C14H20FNO — CID 62029803

IUPAC6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
SMILESCC(=O)CCCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-12(17)5-3-4-10-16(2)11-13-6-8-14(15)9-7-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyDMLUTOPQXYEMOY-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds7

About 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one

6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one (PubChem CID 62029803) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
PubChem CID62029803
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
SMILESCC(=O)CCCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-12(17)5-3-4-10-16(2)11-13-6-8-14(15)9-7-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyDMLUTOPQXYEMOY-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
CID 115236590
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
5-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]pentan-2-one
CID 115236597
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one (CID 62029803) is 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one is CC(=O)CCCCN(C)Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one?
The InChIKey is DMLUTOPQXYEMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-12(17)5-3-4-10-16(2)11-13-6-8-14(15)9-7-13/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one?
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one has a molecular weight of 237.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one is sourced from PubChem (CID 62029803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).