N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine

C12H16F3NO — CID 113314819

IUPACN-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
SMILESCNCCc1ccccc1COCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-16-7-6-10-4-2-3-5-11(10)8-17-9-12(13,14)15/h2-5,16H,6-9H2,1H3
InChIKeyILUIEMLSESGMIX-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine

N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine (PubChem CID 113314819) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
PubChem CID113314819
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
SMILESCNCCc1ccccc1COCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-16-7-6-10-4-2-3-5-11(10)8-17-9-12(13,14)15/h2-5,16H,6-9H2,1H3
InChIKeyILUIEMLSESGMIX-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine (CID 113314819) is N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine is CNCCc1ccccc1COCC(F)(F)F.
What is the InChIKey of N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine?
The InChIKey is ILUIEMLSESGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-16-7-6-10-4-2-3-5-11(10)8-17-9-12(13,14)15/h2-5,16H,6-9H2,1H3.
What are the key properties of N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine?
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 113314819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).