N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C15H24F2N2 — CID 79659867

IUPACN'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C(C)c1cc(F)ccc1F
InChIInChI=1S/C15H24F2N2/c1-5-19(10-15(3,4)9-18)11(2)13-8-12(16)6-7-14(13)17/h6-8,11H,5,9-10,18H2,1-4H3
InChIKeyJOKIIXMTTHDIRX-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.33
Rot. Bonds6

About N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79659867) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79659867
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C(C)c1cc(F)ccc1F
InChIInChI=1S/C15H24F2N2/c1-5-19(10-15(3,4)9-18)11(2)13-8-12(16)6-7-14(13)17/h6-8,11H,5,9-10,18H2,1-4H3
InChIKeyJOKIIXMTTHDIRX-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928811
N'-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668052
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660570
N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 114872153
N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 112585660
1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79062206
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660658
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
1-(2,5-difluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981615
N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 115200256

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79659867) is N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(CC(C)(C)CN)C(C)c1cc(F)ccc1F.
What is the InChIKey of N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is JOKIIXMTTHDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-5-19(10-15(3,4)9-18)11(2)13-8-12(16)6-7-14(13)17/h6-8,11H,5,9-10,18H2,1-4H3.
What are the key properties of N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79659867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).