[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium

C24H26F4N2+2 — CID 8637967

IUPAC[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F4N2/c1-15(19-7-9-21(25)23(27)11-19)29-13-17-3-5-18(6-4-17)14-30-16(2)20-8-10-22(26)24(28)12-20/h3-12,15-16,29-30H,13-14H2,1-2H3/p+2/t15-,16-/m1/s1
InChIKeyACEFMUQHEUEKJR-HZPDHXFCSA-P
MW418.48 g/mol
LogP3.89
Rot. Bonds8

About [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium

[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium (PubChem CID 8637967) has the molecular formula C24H26F4N2+2 and a molecular weight of 418.48 g/mol. Its IUPAC name is [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium
PubChem CID8637967
Molecular FormulaC24H26F4N2+2
Molecular Weight418.48 g/mol
Exact Mass418.20
IUPAC Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F4N2/c1-15(19-7-9-21(25)23(27)11-19)29-13-17-3-5-18(6-4-17)14-30-16(2)20-8-10-22(26)24(28)12-20/h3-12,15-16,29-30H,13-14H2,1-2H3/p+2/t15-,16-/m1/s1
InChIKeyACEFMUQHEUEKJR-HZPDHXFCSA-P
XLogP3.89
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium with MolForge

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Related Compounds

[(1R)-1-(3,4-difluorophenyl)ethyl]-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium
CID 8638317
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 177076550
4-(1-bromopropan-2-yl)-1,2-difluorobenzene
CID 66469255
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9044003
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
[(1S)-1-(3,4-difluorophenyl)ethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium
CID 9375677
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
1-(3,4-difluorophenyl)butane-1,3-diamine
CID 116933240
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium?
The IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium (CID 8637967) is [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium.
What is the SMILES notation for [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium?
The canonical SMILES for [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium is C[C@@H]([NH2+]Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium?
The InChIKey is ACEFMUQHEUEKJR-HZPDHXFCSA-P. The full InChI is InChI=1S/C24H24F4N2/c1-15(19-7-9-21(25)23(27)11-19)29-13-17-3-5-18(6-4-17)14-30-16(2)20-8-10-22(26)24(28)12-20/h3-12,15-16,29-30H,13-14H2,1-2H3/p+2/t15-,16-/m1/s1.
What are the key properties of [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium?
[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium has a molecular weight of 418.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 8637967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).