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

C14H21F2NO2 — CID 110936185

IUPAC1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN(C)CC(F)F)c1
InChIInChI=1S/C14H21F2NO2/c1-10-4-11(2)6-13(5-10)19-9-12(18)7-17(3)8-14(15)16/h4-6,12,14,18H,7-9H2,1-3H3
InChIKeyMOQSWHLPLZCGQP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.24
Rot. Bonds7

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

1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol (PubChem CID 110936185) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
PubChem CID110936185
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CN(C)CC(F)F)c1
InChIInChI=1S/C14H21F2NO2/c1-10-4-11(2)6-13(5-10)19-9-12(18)7-17(3)8-14(15)16/h4-6,12,14,18H,7-9H2,1-3H3
InChIKeyMOQSWHLPLZCGQP-UHFFFAOYSA-N
XLogP2.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.24
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-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 110905337
1-[2,2-difluoroethyl(methyl)amino]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 110936024
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
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183
1-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111122276
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
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
1-(3,5-dimethylphenoxy)-3-(3-fluoropropylamino)propan-2-ol
CID 114266956

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol (CID 110936185) is 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol is Cc1cc(C)cc(OCC(O)CN(C)CC(F)F)c1.
What is the InChIKey of 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
The InChIKey is MOQSWHLPLZCGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10-4-11(2)6-13(5-10)19-9-12(18)7-17(3)8-14(15)16/h4-6,12,14,18H,7-9H2,1-3H3.
What are the key properties of 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol has a molecular weight of 273.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 110936185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).