1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine

C15H14F3N — CID 82814538

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C15H14F3N/c1-9-2-7-12(17)14(15(9)18)13(19)8-10-3-5-11(16)6-4-10/h2-7,13H,8,19H2,1H3
InChIKeyIYWYBSRSICKVFC-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.65
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine

1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 82814538) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID82814538
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C15H14F3N/c1-9-2-7-12(17)14(15(9)18)13(19)8-10-3-5-11(16)6-4-10/h2-7,13H,8,19H2,1H3
InChIKeyIYWYBSRSICKVFC-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
1-(2,6-difluoro-3-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 82814680
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
1-(2,6-difluoro-3-methylphenyl)but-3-yn-1-amine
CID 114977890
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine (CID 82814538) is 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine is Cc1ccc(F)c(C(N)Cc2ccc(F)cc2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is IYWYBSRSICKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-2-7-12(17)14(15(9)18)13(19)8-10-3-5-11(16)6-4-10/h2-7,13H,8,19H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 82814538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).