1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine

C15H18FNOS — CID 55014983

IUPAC1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
SMILESCC(N)C(OCCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNOS/c1-11(17)15(12-4-6-13(16)7-5-12)18-9-8-14-3-2-10-19-14/h2-7,10-11,15H,8-9,17H2,1H3
InChIKeyREOUNGUSLXTLIA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.53
Rot. Bonds6

About 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine

1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine (PubChem CID 55014983) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
PubChem CID55014983
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
SMILESCC(N)C(OCCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNOS/c1-11(17)15(12-4-6-13(16)7-5-12)18-9-8-14-3-2-10-19-14/h2-7,10-11,15H,8-9,17H2,1H3
InChIKeyREOUNGUSLXTLIA-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine (CID 55014983) is 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine is CC(N)C(OCCc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
The InChIKey is REOUNGUSLXTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-11(17)15(12-4-6-13(16)7-5-12)18-9-8-14-3-2-10-19-14/h2-7,10-11,15H,8-9,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine?
1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine is sourced from PubChem (CID 55014983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).