2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

C20H20FNOS — CID 4723289

IUPAC2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESFc1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1
InChIInChI=1S/C20H20FNOS/c21-18-7-3-16(4-8-18)11-12-22-14-17-5-9-19(10-6-17)23-15-20-2-1-13-24-20/h1-10,13,22H,11-12,14-15H2
InChIKeyUWSCGOKENOQIHW-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.80
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 4723289) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID4723289
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESFc1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1
InChIInChI=1S/C20H20FNOS/c21-18-7-3-16(4-8-18)11-12-22-14-17-5-9-19(10-6-17)23-15-20-2-1-13-24-20/h1-10,13,22H,11-12,14-15H2
InChIKeyUWSCGOKENOQIHW-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.80
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 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (CID 4723289) is 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is Fc1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is UWSCGOKENOQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNOS/c21-18-7-3-16(4-8-18)11-12-22-14-17-5-9-19(10-6-17)23-15-20-2-1-13-24-20/h1-10,13,22H,11-12,14-15H2.
What are the key properties of 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 341.45 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 4723289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).