5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one

C14H20FNO2 — CID 115236659

IUPAC5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
SMILESCOc1ccc(F)cc1CCNCCCC(C)=O
InChIInChI=1S/C14H20FNO2/c1-11(17)4-3-8-16-9-7-12-10-13(15)5-6-14(12)18-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyHNLZSNVSJYUBPW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.34
Rot. Bonds8

About 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one

5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one (PubChem CID 115236659) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
PubChem CID115236659
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
SMILESCOc1ccc(F)cc1CCNCCCC(C)=O
InChIInChI=1S/C14H20FNO2/c1-11(17)4-3-8-16-9-7-12-10-13(15)5-6-14(12)18-2/h5-6,10,16H,3-4,7-9H2,1-2H3
InChIKeyHNLZSNVSJYUBPW-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.34
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

5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
CID 115236677
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
CID 115155399
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one?
The IUPAC name of 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one (CID 115236659) is 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one.
What is the SMILES notation for 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one?
The canonical SMILES for 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one is COc1ccc(F)cc1CCNCCCC(C)=O.
What is the InChIKey of 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one?
The InChIKey is HNLZSNVSJYUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(17)4-3-8-16-9-7-12-10-13(15)5-6-14(12)18-2/h5-6,10,16H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one?
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one has a molecular weight of 253.32 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one is sourced from PubChem (CID 115236659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).