N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine

C12H16F3NO — CID 58563461

IUPACN,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine
SMILESCc1cc(OCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-9-6-10(12(13,14)15)8-11(7-9)17-5-4-16(2)3/h6-8H,4-5H2,1-3H3
InChIKeyOXMCDPURVKICOC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.95
Rot. Bonds4

About N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine

N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 58563461) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine
PubChem CID58563461
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine
SMILESCc1cc(OCCN(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-9-6-10(12(13,14)15)8-11(7-9)17-5-4-16(2)3/h6-8H,4-5H2,1-3H3
InChIKeyOXMCDPURVKICOC-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine (CID 58563461) is N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine is Cc1cc(OCCN(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is OXMCDPURVKICOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-9-6-10(12(13,14)15)8-11(7-9)17-5-4-16(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine?
N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 58563461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).