3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol

C14H15F2NO2S — CID 81129593

IUPAC3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
SMILESCOc1csc(C(O)C(CN)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H15F2NO2S/c1-19-11-5-13(20-7-11)14(18)12(6-17)8-2-9(15)4-10(16)3-8/h2-5,7,12,14,18H,6,17H2,1H3
InChIKeyUXJBCLMEXFREBD-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.81
Rot. Bonds5

About 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol

3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol (PubChem CID 81129593) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
PubChem CID81129593
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
SMILESCOc1csc(C(O)C(CN)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H15F2NO2S/c1-19-11-5-13(20-7-11)14(18)12(6-17)8-2-9(15)4-10(16)3-8/h2-5,7,12,14,18H,6,17H2,1H3
InChIKeyUXJBCLMEXFREBD-UHFFFAOYSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-methoxythiophen-2-yl)-2-pyridin-4-ylpropan-1-ol
CID 81129359
3-amino-2-(3,4-dimethylphenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
CID 81128110
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
CID 115836147
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 105024285

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol (CID 81129593) is 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol is COc1csc(C(O)C(CN)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
The InChIKey is UXJBCLMEXFREBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c1-19-11-5-13(20-7-11)14(18)12(6-17)8-2-9(15)4-10(16)3-8/h2-5,7,12,14,18H,6,17H2,1H3.
What are the key properties of 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol?
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol has a molecular weight of 299.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol is sourced from PubChem (CID 81129593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).