N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine

C13H20F2N2O2 — CID 107494368

IUPACN'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(OCCN(CCN)CC(F)F)cc1
InChIInChI=1S/C13H20F2N2O2/c1-18-11-2-4-12(5-3-11)19-9-8-17(7-6-16)10-13(14)15/h2-5,13H,6-10,16H2,1H3
InChIKeyCYCMYUMRUKHHEZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.60
Rot. Bonds9

About N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 107494368) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine
PubChem CID107494368
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC NameN'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(OCCN(CCN)CC(F)F)cc1
InChIInChI=1S/C13H20F2N2O2/c1-18-11-2-4-12(5-3-11)19-9-8-17(7-6-16)10-13(14)15/h2-5,13H,6-10,16H2,1H3
InChIKeyCYCMYUMRUKHHEZ-UHFFFAOYSA-N
XLogP1.60
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide
CID 107493334
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 107493128
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
CID 107493964
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 107480835
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 107488601
2-bromo-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 80666794
1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 113476446
1-[2-aminoethyl(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;methane
CID 158405174

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine (CID 107494368) is N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine is COc1ccc(OCCN(CCN)CC(F)F)cc1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is CYCMYUMRUKHHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-18-11-2-4-12(5-3-11)19-9-8-17(7-6-16)10-13(14)15/h2-5,13H,6-10,16H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 274.31 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107494368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).