1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol

C13H18F3NO3 — CID 111118115

IUPAC1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-17(8-11(18)9-19-2)7-10-5-3-4-6-12(10)20-13(14,15)16/h3-6,11,18H,7-9H2,1-2H3
InChIKeyCCKGZFBFGPGXPD-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.02
Rot. Bonds7

About 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol

1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol (PubChem CID 111118115) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
PubChem CID111118115
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-17(8-11(18)9-19-2)7-10-5-3-4-6-12(10)20-13(14,15)16/h3-6,11,18H,7-9H2,1-2H3
InChIKeyCCKGZFBFGPGXPD-UHFFFAOYSA-N
XLogP2.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62014573
1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 17471423
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
5-fluoro-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzenecarbothioamide
CID 63293236
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 78845785

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol (CID 111118115) is 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol is COCC(O)CN(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol?
The InChIKey is CCKGZFBFGPGXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-17(8-11(18)9-19-2)7-10-5-3-4-6-12(10)20-13(14,15)16/h3-6,11,18H,7-9H2,1-2H3.
What are the key properties of 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 111118115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).