2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine

C15H18FNOS — CID 53273770

IUPAC2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCOCc1ccc(CNCCc2ccc(F)cc2)s1
InChIInChI=1S/C15H18FNOS/c1-18-11-15-7-6-14(19-15)10-17-9-8-12-2-4-13(16)5-3-12/h2-7,17H,8-11H2,1H3
InChIKeyTVDIIRULXBQWGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.37
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine

2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 53273770) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID53273770
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCOCc1ccc(CNCCc2ccc(F)cc2)s1
InChIInChI=1S/C15H18FNOS/c1-18-11-15-7-6-14(19-15)10-17-9-8-12-2-4-13(16)5-3-12/h2-7,17H,8-11H2,1H3
InChIKeyTVDIIRULXBQWGL-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.37
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-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 53273770) is 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine is COCc1ccc(CNCCc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is TVDIIRULXBQWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-18-11-15-7-6-14(19-15)10-17-9-8-12-2-4-13(16)5-3-12/h2-7,17H,8-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 53273770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).