ethyl 5-[(4-fluorophenyl)methylamino]pentanoate

C14H20FNO2 — CID 4164979

IUPACethyl 5-[(4-fluorophenyl)methylamino]pentanoate
SMILESCCOC(=O)CCCCNCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-18-14(17)5-3-4-10-16-11-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3
InChIKeyGQQYDCDMISDADP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.65
Rot. Bonds8

About ethyl 5-[(4-fluorophenyl)methylamino]pentanoate

ethyl 5-[(4-fluorophenyl)methylamino]pentanoate (PubChem CID 4164979) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 5-[(4-fluorophenyl)methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorophenyl)methylamino]pentanoate
PubChem CID4164979
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nameethyl 5-[(4-fluorophenyl)methylamino]pentanoate
SMILESCCOC(=O)CCCCNCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-18-14(17)5-3-4-10-16-11-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3
InChIKeyGQQYDCDMISDADP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorophenyl)methylamino]pentanoate?
The IUPAC name of ethyl 5-[(4-fluorophenyl)methylamino]pentanoate (CID 4164979) is ethyl 5-[(4-fluorophenyl)methylamino]pentanoate.
What is the SMILES notation for ethyl 5-[(4-fluorophenyl)methylamino]pentanoate?
The canonical SMILES for ethyl 5-[(4-fluorophenyl)methylamino]pentanoate is CCOC(=O)CCCCNCc1ccc(F)cc1.
What is the InChIKey of ethyl 5-[(4-fluorophenyl)methylamino]pentanoate?
The InChIKey is GQQYDCDMISDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-18-14(17)5-3-4-10-16-11-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3.
What are the key properties of ethyl 5-[(4-fluorophenyl)methylamino]pentanoate?
ethyl 5-[(4-fluorophenyl)methylamino]pentanoate has a molecular weight of 253.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorophenyl)methylamino]pentanoate is sourced from PubChem (CID 4164979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).