5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine

C18H28F3NO2 — CID 170719137

IUPAC5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine
SMILESNCCCCCOCCCCCOCCc1c(F)cc(F)cc1F
InChIInChI=1S/C18H28F3NO2/c19-15-13-17(20)16(18(21)14-15)7-12-24-11-6-2-5-10-23-9-4-1-3-8-22/h13-14H,1-12,22H2
InChIKeyJWPGFNKGEJKQPQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.98
Rot. Bonds14

About 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine

5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine (PubChem CID 170719137) has the molecular formula C18H28F3NO2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine
PubChem CID170719137
Molecular FormulaC18H28F3NO2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine
SMILESNCCCCCOCCCCCOCCc1c(F)cc(F)cc1F
InChIInChI=1S/C18H28F3NO2/c19-15-13-17(20)16(18(21)14-15)7-12-24-11-6-2-5-10-23-9-4-1-3-8-22/h13-14H,1-12,22H2
InChIKeyJWPGFNKGEJKQPQ-UHFFFAOYSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.98
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 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine?
The IUPAC name of 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine (CID 170719137) is 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine.
What is the SMILES notation for 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine?
The canonical SMILES for 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine is NCCCCCOCCCCCOCCc1c(F)cc(F)cc1F.
What is the InChIKey of 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine?
The InChIKey is JWPGFNKGEJKQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3NO2/c19-15-13-17(20)16(18(21)14-15)7-12-24-11-6-2-5-10-23-9-4-1-3-8-22/h13-14H,1-12,22H2.
What are the key properties of 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine?
5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine has a molecular weight of 347.42 g/mol, XLogP of 3.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine is sourced from PubChem (CID 170719137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).