7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one

C15H22FNO — CID 116574767

IUPAC7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-15(2,9-10-17)8-7-14(18)11-12-3-5-13(16)6-4-12/h3-6H,7-11,17H2,1-2H3
InChIKeyLMIPHGYIEXLHTB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.09
Rot. Bonds7

About 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one

7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one (PubChem CID 116574767) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
PubChem CID116574767
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-15(2,9-10-17)8-7-14(18)11-12-3-5-13(16)6-4-12/h3-6H,7-11,17H2,1-2H3
InChIKeyLMIPHGYIEXLHTB-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-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

7-amino-1-(3,5-difluorophenyl)-5,5-dimethylheptan-2-one
CID 105411953
7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574862
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
CID 64565924
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556389
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
6-[4-(5,5-dimethyl-2,6-dioxohexyl)phenyl]-2,2-dimethyl-5-oxohexanal
CID 10291911
7-amino-5,5-dimethyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116574886

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one?
The IUPAC name of 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one (CID 116574767) is 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one.
What is the SMILES notation for 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one?
The canonical SMILES for 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one is CC(C)(CCN)CCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one?
The InChIKey is LMIPHGYIEXLHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,9-10-17)8-7-14(18)11-12-3-5-13(16)6-4-12/h3-6H,7-11,17H2,1-2H3.
What are the key properties of 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one?
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one has a molecular weight of 251.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one is sourced from PubChem (CID 116574767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).