3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol

C11H14F3NO2 — CID 83919722

IUPAC3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
SMILESCOc1cc(C)ccc1C(O)(CN)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7-3-4-8(9(5-7)17-2)10(16,6-15)11(12,13)14/h3-5,16H,6,15H2,1-2H3
InChIKeyBWAXFSANYBBWKE-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol (PubChem CID 83919722) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
PubChem CID83919722
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
SMILESCOc1cc(C)ccc1C(O)(CN)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7-3-4-8(9(5-7)17-2)10(16,6-15)11(12,13)14/h3-5,16H,6,15H2,1-2H3
InChIKeyBWAXFSANYBBWKE-UHFFFAOYSA-N
XLogP1.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 64985200
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol
CID 105426160
4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 43753296
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
CID 79016908
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
CID 162430150
CID 162430150
1-(2-methoxy-4-methylphenyl)-4-methyl-2-(trifluoromethyl)pentane-1,2-diol
CID 141115742
(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 126705297

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol (CID 83919722) is 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol is COc1cc(C)ccc1C(O)(CN)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol?
The InChIKey is BWAXFSANYBBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7-3-4-8(9(5-7)17-2)10(16,6-15)11(12,13)14/h3-5,16H,6,15H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 83919722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).