1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine

C17H20FNO — CID 63932433

IUPAC1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESCc1ccc(C(N)COCc2ccccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-12-7-8-15(13(2)9-12)17(19)11-20-10-14-5-3-4-6-16(14)18/h3-9,17H,10-11,19H2,1-2H3
InChIKeyCBLAZDUYIQVEIL-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.66
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine

1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine (PubChem CID 63932433) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
PubChem CID63932433
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESCc1ccc(C(N)COCc2ccccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-12-7-8-15(13(2)9-12)17(19)11-20-10-14-5-3-4-6-16(14)18/h3-9,17H,10-11,19H2,1-2H3
InChIKeyCBLAZDUYIQVEIL-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)ethanamine
CID 63936123
1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 107523679
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
2-[(2-fluorophenyl)methoxy]-1-(4-methoxyphenyl)ethanamine
CID 63932424
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
CID 109414144

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine (CID 63932433) is 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine is Cc1ccc(C(N)COCc2ccccc2F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The InChIKey is CBLAZDUYIQVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-7-8-15(13(2)9-12)17(19)11-20-10-14-5-3-4-6-16(14)18/h3-9,17H,10-11,19H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.66, 5 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-fluorophenyl)methoxy]ethanamine is sourced from PubChem (CID 63932433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).