1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine

C15H24F2N2 — CID 114932249

IUPAC1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCCNC(Cc1c(F)cccc1F)C(C)(C)N(C)C
InChIInChI=1S/C15H24F2N2/c1-6-18-14(15(2,3)19(4)5)10-11-12(16)8-7-9-13(11)17/h7-9,14,18H,6,10H2,1-5H3
InChIKeyAMKDCPYFLIMQEZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.83
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine

1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 114932249) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID114932249
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCCNC(Cc1c(F)cccc1F)C(C)(C)N(C)C
InChIInChI=1S/C15H24F2N2/c1-6-18-14(15(2,3)19(4)5)10-11-12(16)8-7-9-13(11)17/h7-9,14,18H,6,10H2,1-5H3
InChIKeyAMKDCPYFLIMQEZ-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053023
2-N-ethyl-3-N,3-N,3-trimethyl-1-[4-(trifluoromethyl)phenyl]butane-2,3-diamine
CID 79046053
1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063285
2-N-ethyl-1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052816
2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 114552816
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79052907
1-(2,6-difluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 105005647
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239158
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
1-(3-chloro-4-iodophenyl)-2-(2,6-difluorophenyl)-N-ethylethanamine
CID 103216510

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 114932249) is 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine is CCNC(Cc1c(F)cccc1F)C(C)(C)N(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is AMKDCPYFLIMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-6-18-14(15(2,3)19(4)5)10-11-12(16)8-7-9-13(11)17/h7-9,14,18H,6,10H2,1-5H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 2.83, 6 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-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 114932249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).