2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol

C18H20F3NO4 — CID 69085706

IUPAC2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol
SMILESCOc1cccc(OC)c1C(CO)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO4/c1-24-15-4-3-5-16(25-2)17(15)14(11-23)22-10-12-6-8-13(9-7-12)26-18(19,20)21/h3-9,14,22-23H,10-11H2,1-2H3
InChIKeyUQGHHYAMLJQUPM-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.43
Rot. Bonds8

About 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol

2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol (PubChem CID 69085706) has the molecular formula C18H20F3NO4 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol
PubChem CID69085706
Molecular FormulaC18H20F3NO4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Name2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol
SMILESCOc1cccc(OC)c1C(CO)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO4/c1-24-15-4-3-5-16(25-2)17(15)14(11-23)22-10-12-6-8-13(9-7-12)26-18(19,20)21/h3-9,14,22-23H,10-11H2,1-2H3
InChIKeyUQGHHYAMLJQUPM-UHFFFAOYSA-N
XLogP3.43
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol with MolForge

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Related Compounds

Bis(2,4-dimethoxybenzyl)amine
CID 88696
2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
2-{[(2-Methoxyphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647923
2-{[(2-Methoxyphenyl)methyl]amino}-1-[3-(trifluoromethoxy)phenyl]ethan-1-ol
CID 23647928
Salmefamol
CID 86805
(R,R)-(-)-1-p-methoxyphenyl-2-(beta-3'',5''-dihydroxyphenyl-beta-oxy)ethylamino-propane
CID 16735257
2-{[2-Hydroxy-2-(4-methoxyphenyl)-1-methylethyl]amino}-1-(4-methoxyphenyl)-1-propanol
CID 3294422
(2,4-Dimethoxybenzyl)(2-methylcyclohexyl)amine
CID 2852810
(s)-3-Hydroxy-2-[(2,4,6-trimethoxybenzyl)amino]propanoic acid
CID 86298750
2-[[2,6-Dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 117941533
US9872852, Example 103
CID 117941635
US9872852, Example 243
CID 117941776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol (CID 69085706) is 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol is COc1cccc(OC)c1C(CO)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol?
The InChIKey is UQGHHYAMLJQUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4/c1-24-15-4-3-5-16(25-2)17(15)14(11-23)22-10-12-6-8-13(9-7-12)26-18(19,20)21/h3-9,14,22-23H,10-11H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol?
2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol has a molecular weight of 371.36 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 69085706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).