N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine

C17H20FNOS — CID 45219700

IUPACN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine
SMILESFc1ccc(C2(CNCCc3cccs3)CCOC2)cc1
InChIInChI=1S/C17H20FNOS/c18-15-5-3-14(4-6-15)17(8-10-20-13-17)12-19-9-7-16-2-1-11-21-16/h1-6,11,19H,7-10,12-13H2
InChIKeyUOPQXZVPRFHOOI-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.38
Rot. Bonds6

About N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine

N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine (PubChem CID 45219700) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine
PubChem CID45219700
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine
SMILESFc1ccc(C2(CNCCc3cccs3)CCOC2)cc1
InChIInChI=1S/C17H20FNOS/c18-15-5-3-14(4-6-15)17(8-10-20-13-17)12-19-9-7-16-2-1-11-21-16/h1-6,11,19H,7-10,12-13H2
InChIKeyUOPQXZVPRFHOOI-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.38
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 N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine (CID 45219700) is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine is Fc1ccc(C2(CNCCc3cccs3)CCOC2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine?
The InChIKey is UOPQXZVPRFHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c18-15-5-3-14(4-6-15)17(8-10-20-13-17)12-19-9-7-16-2-1-11-21-16/h1-6,11,19H,7-10,12-13H2.
What are the key properties of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine?
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine has a molecular weight of 305.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 45219700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).