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

C15H13F4N — CID 43674183

IUPAC1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H13F4N/c1-9(13-7-12(17)3-5-15(13)19)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,20H,8H2,1H3
InChIKeyGAELKJRMRAKRDU-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.09
Rot. Bonds4

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

1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43674183) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43674183
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H13F4N/c1-9(13-7-12(17)3-5-15(13)19)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,20H,8H2,1H3
InChIKeyGAELKJRMRAKRDU-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-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol
CID 63795320
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (CID 43674183) is 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is CC(NCc1cc(F)ccc1F)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is GAELKJRMRAKRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-9(13-7-12(17)3-5-15(13)19)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
1-(2,5-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-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43674183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).