1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol

C12H16F3NO2 — CID 63899797

IUPAC1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCNC(C)c1ccc(OCC(O)C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-8(16-2)9-3-5-10(6-4-9)18-7-11(17)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3
InChIKeyCAPYBWOINRWUMV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.27
Rot. Bonds5

About 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol

1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 63899797) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
PubChem CID63899797
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCNC(C)c1ccc(OCC(O)C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-8(16-2)9-3-5-10(6-4-9)18-7-11(17)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3
InChIKeyCAPYBWOINRWUMV-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899798
3-[4-[(1S)-1-aminoethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900014
methyl 4-(3,3,3-trifluoro-2-hydroxypropoxy)benzoate
CID 65019211
2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492639
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66043980
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607
(2S)-3-[4-[2-[4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 121289636
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol (CID 63899797) is 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol is CNC(C)c1ccc(OCC(O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is CAPYBWOINRWUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(16-2)9-3-5-10(6-4-9)18-7-11(17)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 263.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 63899797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).