3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

C15H16F3NOS — CID 79808709

IUPAC3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-9-7-21-8-13(9)14(20)12(6-19)10-3-2-4-11(5-10)15(16,17)18/h2-5,7-8,12,14,20H,6,19H2,1H3
InChIKeyZNAGFXDLPFKABH-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.85
Rot. Bonds4

About 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol

3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 79808709) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID79808709
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1cscc1C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-9-7-21-8-13(9)14(20)12(6-19)10-3-2-4-11(5-10)15(16,17)18/h2-5,7-8,12,14,20H,6,19H2,1H3
InChIKeyZNAGFXDLPFKABH-UHFFFAOYSA-N
XLogP3.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 67899865
(1-Pentyl-4-thiophen-2-ylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 67899999
2-Amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
CID 142603342
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
2-(2-Thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60900477
2-(Thiophen-2-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901018
2-(2-Thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901049
2-(1-Thiophen-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60909333
2-(Thiophen-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60970343

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 79808709) is 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is Cc1cscc1C(O)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is ZNAGFXDLPFKABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-9-7-21-8-13(9)14(20)12(6-19)10-3-2-4-11(5-10)15(16,17)18/h2-5,7-8,12,14,20H,6,19H2,1H3.
What are the key properties of 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 315.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 79808709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).