N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine

C17H20FNO — CID 106533327

IUPACN-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-19-11-14-8-15(18)10-17(9-14)20-16-6-12(2)5-13(3)7-16/h5-10,19H,4,11H2,1-3H3
InChIKeyYEOFOCKWAVKRLR-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.34
Rot. Bonds5

About N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine

N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine (PubChem CID 106533327) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
PubChem CID106533327
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-19-11-14-8-15(18)10-17(9-14)20-16-6-12(2)5-13(3)7-16/h5-10,19H,4,11H2,1-3H3
InChIKeyYEOFOCKWAVKRLR-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
1-[3-(ethylaminomethyl)-5-fluorophenoxy]-2-methylbutan-2-ol
CID 114492432
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134560
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine (CID 106533327) is N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)cc(Oc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is YEOFOCKWAVKRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-11-14-8-15(18)10-17(9-14)20-16-6-12(2)5-13(3)7-16/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine?
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 106533327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).