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

C14H15F2NO2S — CID 81129934

IUPAC3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol
SMILESCOc1ccsc1C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO2S/c1-19-12-4-5-20-14(12)13(18)10(7-17)9-3-2-8(15)6-11(9)16/h2-6,10,13,18H,7,17H2,1H3
InChIKeyLGOQTHDZCOMITN-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.81
Rot. Bonds5

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

3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol (PubChem CID 81129934) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol
PubChem CID81129934
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol
SMILESCOc1ccsc1C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO2S/c1-19-12-4-5-20-14(12)13(18)10(7-17)9-3-2-8(15)6-11(9)16/h2-6,10,13,18H,7,17H2,1H3
InChIKeyLGOQTHDZCOMITN-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

[(2,4-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303283
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190346
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol
CID 81128612
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol (CID 81129934) is 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol is COc1ccsc1C(O)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol?
The InChIKey is LGOQTHDZCOMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c1-19-12-4-5-20-14(12)13(18)10(7-17)9-3-2-8(15)6-11(9)16/h2-6,10,13,18H,7,17H2,1H3.
What are the key properties of 3-amino-2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol?
3-amino-2-(2,4-difluorophenyl)-1-(3-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-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)propan-1-ol is sourced from PubChem (CID 81129934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).