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

C16H20FNO2S — CID 62841529

IUPAC1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COCc1ccccc1F)c1ccsc1
InChIInChI=1S/C16H20FNO2S/c1-12(14-6-7-21-11-14)18-8-15(19)10-20-9-13-4-2-3-5-16(13)17/h2-7,11-12,15,18-19H,8-10H2,1H3
InChIKeyPKPAYRGTXDMSIE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.12
Rot. Bonds8

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

1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 62841529) 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-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID62841529
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COCc1ccccc1F)c1ccsc1
InChIInChI=1S/C16H20FNO2S/c1-12(14-6-7-21-11-14)18-8-15(19)10-20-9-13-4-2-3-5-16(13)17/h2-7,11-12,15,18-19H,8-10H2,1H3
InChIKeyPKPAYRGTXDMSIE-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-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 62841529) is 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol is CC(NCC(O)COCc1ccccc1F)c1ccsc1.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is PKPAYRGTXDMSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-12(14-6-7-21-11-14)18-8-15(19)10-20-9-13-4-2-3-5-16(13)17/h2-7,11-12,15,18-19H,8-10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(1-thiophen-3-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-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 62841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).