1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine

C15H13F4N — CID 60713896

IUPAC1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C15H13F4N/c1-9(12-6-5-11(16)7-14(12)18)20-8-10-3-2-4-13(17)15(10)19/h2-7,9,20H,8H2,1H3
InChIKeyUJVZWMCQRRJFRF-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.09
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine (PubChem CID 60713896) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
PubChem CID60713896
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1F)c1ccc(F)cc1F
InChIInChI=1S/C15H13F4N/c1-9(12-6-5-11(16)7-14(12)18)20-8-10-3-2-4-13(17)15(10)19/h2-7,9,20H,8H2,1H3
InChIKeyUJVZWMCQRRJFRF-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
(1S)-1-(2,4-difluorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 95177706
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 103878337
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine (CID 60713896) is 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine is CC(NCc1cccc(F)c1F)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The InChIKey is UJVZWMCQRRJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-9(12-6-5-11(16)7-14(12)18)20-8-10-3-2-4-13(17)15(10)19/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine has a molecular weight of 283.27 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 60713896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).