5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one

C12H16FNO2 — CID 116571948

IUPAC5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
SMILESCOc1ccc(C(=O)CCCCN)cc1F
InChIInChI=1S/C12H16FNO2/c1-16-12-6-5-9(8-10(12)13)11(15)4-2-3-7-14/h5-6,8H,2-4,7,14H2,1H3
InChIKeyTVFDLJNRDCDRML-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.15
Rot. Bonds6

About 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one

5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one (PubChem CID 116571948) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
PubChem CID116571948
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
SMILESCOc1ccc(C(=O)CCCCN)cc1F
InChIInChI=1S/C12H16FNO2/c1-16-12-6-5-9(8-10(12)13)11(15)4-2-3-7-14/h5-6,8H,2-4,7,14H2,1H3
InChIKeyTVFDLJNRDCDRML-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583
N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide
CID 18434110
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
The IUPAC name of 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one (CID 116571948) is 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
The canonical SMILES for 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one is COc1ccc(C(=O)CCCCN)cc1F.
What is the InChIKey of 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
The InChIKey is TVFDLJNRDCDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-12-6-5-9(8-10(12)13)11(15)4-2-3-7-14/h5-6,8H,2-4,7,14H2,1H3.
What are the key properties of 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one?
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one has a molecular weight of 225.26 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 116571948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).