1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine

C15H15F2N — CID 63987756

IUPAC1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2N/c1-10-6-8-11(9-7-10)15(2,18)12-4-3-5-13(16)14(12)17/h3-9H,18H2,1-2H3
InChIKeyAQSUTOLLKJMXHE-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.50
Rot. Bonds2

About 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine

1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine (PubChem CID 63987756) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
PubChem CID63987756
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2N/c1-10-6-8-11(9-7-10)15(2,18)12-4-3-5-13(16)14(12)17/h3-9H,18H2,1-2H3
InChIKeyAQSUTOLLKJMXHE-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine (CID 63987756) is 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)(N)c2cccc(F)c2F)cc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is AQSUTOLLKJMXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-6-8-11(9-7-10)15(2,18)12-4-3-5-13(16)14(12)17/h3-9H,18H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine?
1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63987756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).