3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol

C14H15F2NOS — CID 82819024

IUPAC3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
SMILESCc1ccc(F)c(C(O)C(CN)c2cccs2)c1F
InChIInChI=1S/C14H15F2NOS/c1-8-4-5-10(15)12(13(8)16)14(18)9(7-17)11-3-2-6-19-11/h2-6,9,14,18H,7,17H2,1H3
InChIKeyKEMIKPVOZQRLEK-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol

3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol (PubChem CID 82819024) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
PubChem CID82819024
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
SMILESCc1ccc(F)c(C(O)C(CN)c2cccs2)c1F
InChIInChI=1S/C14H15F2NOS/c1-8-4-5-10(15)12(13(8)16)14(18)9(7-17)11-3-2-6-19-11/h2-6,9,14,18H,7,17H2,1H3
InChIKeyKEMIKPVOZQRLEK-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-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 82801260
3-amino-1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190198
3-amino-1-(2,4-difluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190346
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352
3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190142
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
CID 171229302
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol (CID 82819024) is 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol is Cc1ccc(F)c(C(O)C(CN)c2cccs2)c1F.
What is the InChIKey of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol?
The InChIKey is KEMIKPVOZQRLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-8-4-5-10(15)12(13(8)16)14(18)9(7-17)11-3-2-6-19-11/h2-6,9,14,18H,7,17H2,1H3.
What are the key properties of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol?
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-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-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82819024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).