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

C14H15F2NOS — CID 79808574

IUPAC3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NOS/c1-8-6-19-7-13(8)14(18)12(5-17)9-2-10(15)4-11(16)3-9/h2-4,6-7,12,14,18H,5,17H2,1H3
InChIKeyDCAHZXURZVRKIR-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.11
Rot. Bonds4

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

3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (PubChem CID 79808574) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
PubChem CID79808574
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NOS/c1-8-6-19-7-13(8)14(18)12(5-17)9-2-10(15)4-11(16)3-9/h2-4,6-7,12,14,18H,5,17H2,1H3
InChIKeyDCAHZXURZVRKIR-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
1-(5-Fluoro-1-benzothiophen-3-yl)-3-(propylamino)propan-1-ol
CID 141110771
2-Amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
CID 142603342
3-Amino-1-(2-fluoro-5-octylsulfanylphenyl)propan-1-ol
CID 143954737
3-Amino-1-[3-(5,5-difluoro-2-methylheptyl)sulfanylphenyl]propan-1-ol
CID 143954780
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-2-ylphenyl)propan-1-ol
CID 177965961
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-3-ylphenyl)propan-1-ol
CID 177965988
(1R,2S)-2-amino-3-fluoro-1-(4-thiophen-2-ylcyclohexa-1,3-dien-5-yn-1-yl)propan-1-ol
CID 177965994
[4-(4-Fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
CID 10562638
1-(2,4-Difluorophenyl)-2-[(3-methylthiophen-2-yl)methylamino]ethanol
CID 45815766
1-(4-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54952991
1-(2-Fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
CID 54953040

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol (CID 79808574) is 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is Cc1cscc1C(O)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The InChIKey is DCAHZXURZVRKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-8-6-19-7-13(8)14(18)12(5-17)9-2-10(15)4-11(16)3-9/h2-4,6-7,12,14,18H,5,17H2,1H3.
What are the key properties of 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol?
3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 79808574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).