N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine

C15H18FNOS — CID 63935767

IUPACN-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESFc1ccccc1COCCNCCc1cccs1
InChIInChI=1S/C15H18FNOS/c16-15-6-2-1-4-13(15)12-18-10-9-17-8-7-14-5-3-11-19-14/h1-6,11,17H,7-10,12H2
InChIKeyBAFNQLNMMLLKFS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.24
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine

N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine (PubChem CID 63935767) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
PubChem CID63935767
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESFc1ccccc1COCCNCCc1cccs1
InChIInChI=1S/C15H18FNOS/c16-15-6-2-1-4-13(15)12-18-10-9-17-8-7-14-5-3-11-19-14/h1-6,11,17H,7-10,12H2
InChIKeyBAFNQLNMMLLKFS-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.24
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-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine (CID 63935767) is N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine is Fc1ccccc1COCCNCCc1cccs1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is BAFNQLNMMLLKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c16-15-6-2-1-4-13(15)12-18-10-9-17-8-7-14-5-3-11-19-14/h1-6,11,17H,7-10,12H2.
What are the key properties of N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63935767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).