1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine

C17H20FNO — CID 64855010

IUPAC1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
SMILESCc1ccc(C(N)COc2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-11-4-6-14(13(3)8-11)16(19)10-20-17-9-12(2)5-7-15(17)18/h4-9,16H,10,19H2,1-3H3
InChIKeyQLWMKXPMCGQXDR-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.83
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine

1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine (PubChem CID 64855010) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
PubChem CID64855010
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
SMILESCc1ccc(C(N)COc2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-11-4-6-14(13(3)8-11)16(19)10-20-17-9-12(2)5-7-15(17)18/h4-9,16H,10,19H2,1-3H3
InChIKeyQLWMKXPMCGQXDR-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63932433
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
2-(2-bromo-3,3,3-trifluoropropoxy)-1-fluoro-4-methylbenzene
CID 64855013

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine (CID 64855010) is 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine is Cc1ccc(C(N)COc2cc(C)ccc2F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine?
The InChIKey is QLWMKXPMCGQXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-4-6-14(13(3)8-11)16(19)10-20-17-9-12(2)5-7-15(17)18/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine?
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine is sourced from PubChem (CID 64855010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).