2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine

C17H26FNO2 — CID 44590729

IUPAC2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine
SMILESCOc1ccc(F)cc1CCCCC1CCC(CCN)O1
InChIInChI=1S/C17H26FNO2/c1-20-17-9-6-14(18)12-13(17)4-2-3-5-15-7-8-16(21-15)10-11-19/h6,9,12,15-16H,2-5,7-8,10-11,19H2,1H3
InChIKeyKJRMGZKFHBXRRA-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.44
Rot. Bonds8

About 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine

2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine (PubChem CID 44590729) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine
PubChem CID44590729
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine
SMILESCOc1ccc(F)cc1CCCCC1CCC(CCN)O1
InChIInChI=1S/C17H26FNO2/c1-20-17-9-6-14(18)12-13(17)4-2-3-5-15-7-8-16(21-15)10-11-19/h6,9,12,15-16H,2-5,7-8,10-11,19H2,1H3
InChIKeyKJRMGZKFHBXRRA-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine (CID 44590729) is 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine is COc1ccc(F)cc1CCCCC1CCC(CCN)O1.
What is the InChIKey of 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine?
The InChIKey is KJRMGZKFHBXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-20-17-9-6-14(18)12-13(17)4-2-3-5-15-7-8-16(21-15)10-11-19/h6,9,12,15-16H,2-5,7-8,10-11,19H2,1H3.
What are the key properties of 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine?
2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine has a molecular weight of 295.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(5-fluoro-2-methoxyphenyl)butyl]oxolan-2-yl]ethanamine is sourced from PubChem (CID 44590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).