1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol

C15H22F3NO2 — CID 110905337

IUPAC1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN(C)CCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-11-6-12(2)8-14(7-11)21-10-13(20)9-19(3)5-4-15(16,17)18/h6-8,13,20H,4-5,9-10H2,1-3H3
InChIKeyWSOIHOPPNRBXPT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.93
Rot. Bonds7

About 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol

1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol (PubChem CID 110905337) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
PubChem CID110905337
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN(C)CCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-11-6-12(2)8-14(7-11)21-10-13(20)9-19(3)5-4-15(16,17)18/h6-8,13,20H,4-5,9-10H2,1-3H3
InChIKeyWSOIHOPPNRBXPT-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 78782909
1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 110936185
1-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111122276
1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
CID 111613532
1-(3,5-dimethylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936161
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
1-[methyl(3,3,3-trifluoropropyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110905336

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol (CID 110905337) is 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol is Cc1cc(C)cc(OCC(O)CN(C)CCC(F)(F)F)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
The InChIKey is WSOIHOPPNRBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-11-6-12(2)8-14(7-11)21-10-13(20)9-19(3)5-4-15(16,17)18/h6-8,13,20H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol?
1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol has a molecular weight of 305.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol is sourced from PubChem (CID 110905337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).