3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol

C13H18F3NO3 — CID 63082925

IUPAC3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1ccc(OC)cc1OC)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-4-11(17)12(18,13(14,15)16)9-6-5-8(19-2)7-10(9)20-3/h5-7,11,18H,4,17H2,1-3H3
InChIKeyAUCGZBZJNAZZQR-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.19
Rot. Bonds5

About 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol

3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol (PubChem CID 63082925) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
PubChem CID63082925
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1ccc(OC)cc1OC)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-4-11(17)12(18,13(14,15)16)9-6-5-8(19-2)7-10(9)20-3/h5-7,11,18H,4,17H2,1-3H3
InChIKeyAUCGZBZJNAZZQR-UHFFFAOYSA-N
XLogP2.19
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588734
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-hydroxyiminopropan-2-ol
CID 162538995
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
ethyl (3S)-3-amino-3-(2,4-dimethoxyphenyl)-2,2-difluoropropanoate
CID 171246682
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol (CID 63082925) is 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol is CCC(N)C(O)(c1ccc(OC)cc1OC)C(F)(F)F.
What is the InChIKey of 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is AUCGZBZJNAZZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-4-11(17)12(18,13(14,15)16)9-6-5-8(19-2)7-10(9)20-3/h5-7,11,18H,4,17H2,1-3H3.
What are the key properties of 3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol?
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 2.19, 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-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 63082925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).