1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine

C13H20F2N2 — CID 79063864

IUPAC1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)c1c(F)cccc1F)N(C)C
InChIInChI=1S/C13H20F2N2/c1-5-13(2,17(3)4)12(16)11-9(14)7-6-8-10(11)15/h6-8,12H,5,16H2,1-4H3
InChIKeyZESROPNOAGPRPW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.69
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine

1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 79063864) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID79063864
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)c1c(F)cccc1F)N(C)C
InChIInChI=1S/C13H20F2N2/c1-5-13(2,17(3)4)12(16)11-9(14)7-6-8-10(11)15/h6-8,12H,5,16H2,1-4H3
InChIKeyZESROPNOAGPRPW-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 116810559
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241028
1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 106942739
1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
CID 86262880
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64770314
1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063285
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
2-N,2-N,2-trimethyl-1-pyrimidin-5-ylbutane-1,2-diamine
CID 79064305
1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 79063864) is 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine is CCC(C)(C(N)c1c(F)cccc1F)N(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is ZESROPNOAGPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-5-13(2,17(3)4)12(16)11-9(14)7-6-8-10(11)15/h6-8,12H,5,16H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79063864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).