1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol

C16H20FNO2S — CID 60909060

IUPAC1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COCc1ccccc1F)c1cccs1
InChIInChI=1S/C16H20FNO2S/c1-12(16-7-4-8-21-16)18-9-14(19)11-20-10-13-5-2-3-6-15(13)17/h2-8,12,14,18-19H,9-11H2,1H3
InChIKeyRNXJGWKVCUFEOX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.12
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol (PubChem CID 60909060) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol
PubChem CID60909060
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COCc1ccccc1F)c1cccs1
InChIInChI=1S/C16H20FNO2S/c1-12(16-7-4-8-21-16)18-9-14(19)11-20-10-13-5-2-3-6-15(13)17/h2-8,12,14,18-19H,9-11H2,1H3
InChIKeyRNXJGWKVCUFEOX-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol (CID 60909060) is 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol is CC(NCC(O)COCc1ccccc1F)c1cccs1.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The InChIKey is RNXJGWKVCUFEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-12(16-7-4-8-21-16)18-9-14(19)11-20-10-13-5-2-3-6-15(13)17/h2-8,12,14,18-19H,9-11H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 60909060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).