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

C13H18F3NO2 — CID 63899388

IUPAC1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
SMILESCCC(NC)c1ccccc1OCC(O)C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-3-10(17-2)9-6-4-5-7-11(9)19-8-12(18)13(14,15)16/h4-7,10,12,17-18H,3,8H2,1-2H3
InChIKeySXRDHDORZDVZHZ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.66
Rot. Bonds6

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

1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol (PubChem CID 63899388) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
PubChem CID63899388
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
SMILESCCC(NC)c1ccccc1OCC(O)C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-3-10(17-2)9-6-4-5-7-11(9)19-8-12(18)13(14,15)16/h4-7,10,12,17-18H,3,8H2,1-2H3
InChIKeySXRDHDORZDVZHZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
2-[2-[1-(methylamino)propyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486404
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 82005062

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol (CID 63899388) is 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol is CCC(NC)c1ccccc1OCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol?
The InChIKey is SXRDHDORZDVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-10(17-2)9-6-4-5-7-11(9)19-8-12(18)13(14,15)16/h4-7,10,12,17-18H,3,8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol?
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.66, 6 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-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol is sourced from PubChem (CID 63899388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).