N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C14H19F4NO — CID 107456800

IUPACN-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(COCC(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-10(2)6-19-7-11-3-4-13(15)12(5-11)8-20-9-14(16,17)18/h3-5,10,19H,6-9H2,1-2H3
InChIKeyDKTBYOSFPHZDDP-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.65
Rot. Bonds7

About N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107456800) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107456800
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC NameN-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(COCC(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-10(2)6-19-7-11-3-4-13(15)12(5-11)8-20-9-14(16,17)18/h3-5,10,19H,6-9H2,1-2H3
InChIKeyDKTBYOSFPHZDDP-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[3-bromo-4-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 102774007
N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457193
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 107456800) is N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(F)c(COCC(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DKTBYOSFPHZDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-10(2)6-19-7-11-3-4-13(15)12(5-11)8-20-9-14(16,17)18/h3-5,10,19H,6-9H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.30 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107456800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).