N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

C11H14F3NO — CID 62444453

IUPACN-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESCNCc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-15-6-9-3-2-4-10(5-9)7-16-8-11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeyCGAJTILQUICJLO-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.48
Rot. Bonds5

About N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (PubChem CID 62444453) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
PubChem CID62444453
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESCNCc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-15-6-9-3-2-4-10(5-9)7-16-8-11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeyCGAJTILQUICJLO-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62443882
5-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrimidin-2-amine
CID 133423753
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-methyl-3-oxo-3-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]propanoic acid
CID 122066448
4-[[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122007469
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857914
2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993277
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
1,3-bis[(2,2-difluoro-3-phenylmethoxypropoxy)methyl]benzene
CID 101245599
3-[[3-[(2,2-difluoro-3-hydroxypropoxy)methyl]phenyl]methoxy]-2,2-difluoropropan-1-ol
CID 101245603
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (CID 62444453) is N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is CNCc1cccc(COCC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The InChIKey is CGAJTILQUICJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15-6-9-3-2-4-10(5-9)7-16-8-11(12,13)14/h2-5,15H,6-8H2,1H3.
What are the key properties of N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine has a molecular weight of 233.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 62444453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).