1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine

C16H26F2N2 — CID 79062206

IUPAC1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1cc(F)ccc1F
InChIInChI=1S/C16H26F2N2/c1-5-16(6-2,20(7-3)8-4)15(19)13-11-12(17)9-10-14(13)18/h9-11,15H,5-8,19H2,1-4H3
InChIKeyBRNNYCATQOKHHH-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.87
Rot. Bonds7

About 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine

1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine (PubChem CID 79062206) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
PubChem CID79062206
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)c1cc(F)ccc1F
InChIInChI=1S/C16H26F2N2/c1-5-16(6-2,20(7-3)8-4)15(19)13-11-12(17)9-10-14(13)18/h9-11,15H,5-8,19H2,1-4H3
InChIKeyBRNNYCATQOKHHH-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789
1-(2,5-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 105240869
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
CID 79068432
(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131266456
(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371
1-(2,5-difluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981615
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79659867
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 103040222
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine (CID 79062206) is 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine is CCN(CC)C(CC)(CC)C(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
The InChIKey is BRNNYCATQOKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-5-16(6-2,20(7-3)8-4)15(19)13-11-12(17)9-10-14(13)18/h9-11,15H,5-8,19H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine?
1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine is sourced from PubChem (CID 79062206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).