1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine

C18H22FNO — CID 102981071

IUPAC1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
SMILESCNC(COc1cc(F)ccc1C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H22FNO/c1-12-7-13(2)9-15(8-12)17(20-4)11-21-18-10-16(19)6-5-14(18)3/h5-10,17,20H,11H2,1-4H3
InChIKeyOFKGPYBNWMQWBR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.09
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine

1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine (PubChem CID 102981071) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
PubChem CID102981071
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
SMILESCNC(COc1cc(F)ccc1C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H22FNO/c1-12-7-13(2)9-15(8-12)17(20-4)11-21-18-10-16(19)6-5-14(18)3/h5-10,17,20H,11H2,1-4H3
InChIKeyOFKGPYBNWMQWBR-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
N-methyl-1-(4-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63474209
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248
2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine
CID 135275298
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550
3-(5-fluoro-2-methylphenoxy)-2-phenylpropane-1-thiol
CID 102988842
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine (CID 102981071) is 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine is CNC(COc1cc(F)ccc1C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine?
The InChIKey is OFKGPYBNWMQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-7-13(2)9-15(8-12)17(20-4)11-21-18-10-16(19)6-5-14(18)3/h5-10,17,20H,11H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine?
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine is sourced from PubChem (CID 102981071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).