1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine

C15H13F4N — CID 43680952

IUPAC1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F4N/c1-9(10-2-4-14(18)15(19)7-10)20-8-11-6-12(16)3-5-13(11)17/h2-7,9,20H,8H2,1H3
InChIKeyGHBNGAWARMDLPZ-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.09
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43680952) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43680952
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F4N/c1-9(10-2-4-14(18)15(19)7-10)20-8-11-6-12(16)3-5-13(11)17/h2-7,9,20H,8H2,1H3
InChIKeyGHBNGAWARMDLPZ-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-(1,3-benzodioxol-5-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43689420
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
N-[(2,5-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62048772
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
N-[(2,5-difluorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 63793388
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
N-[(2,5-difluorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854966
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
4-fluoro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]benzonitrile
CID 81348169
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (CID 43680952) is 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is CC(NCc1cc(F)ccc1F)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is GHBNGAWARMDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-9(10-2-4-14(18)15(19)7-10)20-8-11-6-12(16)3-5-13(11)17/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(2,5-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-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43680952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).