2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C15H18FNOS — CID 63935363

IUPAC2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOCc1ccccc1F
InChIInChI=1S/C15H18FNOS/c1-12-6-9-19-15(12)10-17-7-8-18-11-13-4-2-3-5-14(13)16/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeyPSSPXGPOPRUULE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.50
Rot. Bonds7

About 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 63935363) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID63935363
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOCc1ccccc1F
InChIInChI=1S/C15H18FNOS/c1-12-6-9-19-15(12)10-17-7-8-18-11-13-4-2-3-5-14(13)16/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeyPSSPXGPOPRUULE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 63935363) is 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCOCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PSSPXGPOPRUULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-12-6-9-19-15(12)10-17-7-8-18-11-13-4-2-3-5-14(13)16/h2-6,9,17H,7-8,10-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63935363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).