N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

C28H26F2N2O2 — CID 53350151

IUPACN,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(Nc2ccc(F)cc2)C(Nc2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26F2N2O2/c1-33-25-15-3-19(4-16-25)27(31-23-11-7-21(29)8-12-23)28(20-5-17-26(34-2)18-6-20)32-24-13-9-22(30)10-14-24/h3-18,27-28,31-32H,1-2H3
InChIKeyCHFDKJZNEXPNBM-UHFFFAOYSA-N
MW460.52 g/mol
LogP6.99
Rot. Bonds9

About N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 53350151) has the molecular formula C28H26F2N2O2 and a molecular weight of 460.52 g/mol. Its IUPAC name is N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID53350151
Molecular FormulaC28H26F2N2O2
Molecular Weight460.52 g/mol
Exact Mass460.20
IUPAC NameN,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(Nc2ccc(F)cc2)C(Nc2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26F2N2O2/c1-33-25-15-3-19(4-16-25)27(31-23-11-7-21(29)8-12-23)28(20-5-17-26(34-2)18-6-20)32-24-13-9-22(30)10-14-24/h3-18,27-28,31-32H,1-2H3
InChIKeyCHFDKJZNEXPNBM-UHFFFAOYSA-N
XLogP6.99
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 614407
N-(4-Methoxybenzyl)aniline
CID 408377
US9205085, Msx-205
CID 23656764
(4-Methoxy-phenyl)-phenylamino-acetonitrile
CID 291032
4-(4-benzylpiperazin-1-yl)-N-[(4-ethoxyphenyl)methyl]aniline
CID 1017285
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218015
(3,4-Difluorophenyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846764
N'-(3-fluoro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585167
1-(2-(4-Methoxyphenyl)phenyl)piperazine
CID 22001618
(R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24897689
[2-(4-tert-Butyl-phenyl)-2-(4-phenyl-piperazin-1-yl)-ethyl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 44400991

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine (CID 53350151) is N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(Nc2ccc(F)cc2)C(Nc2ccc(F)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is CHFDKJZNEXPNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2O2/c1-33-25-15-3-19(4-16-25)27(31-23-11-7-21(29)8-12-23)28(20-5-17-26(34-2)18-6-20)32-24-13-9-22(30)10-14-24/h3-18,27-28,31-32H,1-2H3.
What are the key properties of N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine?
N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 460.52 g/mol, XLogP of 6.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-fluorophenyl)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 53350151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).