1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine

C17H27F2N — CID 79522095

IUPAC1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1c(F)cccc1F
InChIInChI=1S/C17H27F2N/c1-4-7-9-13(5-2)12-16(20-6-3)17-14(18)10-8-11-15(17)19/h8,10-11,13,16,20H,4-7,9,12H2,1-3H3
InChIKeyCWVQKMZGJFJJDP-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.22
Rot. Bonds9

About 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine

1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine (PubChem CID 79522095) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
PubChem CID79522095
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1c(F)cccc1F
InChIInChI=1S/C17H27F2N/c1-4-7-9-13(5-2)12-16(20-6-3)17-14(18)10-8-11-15(17)19/h8,10-11,13,16,20H,4-7,9,12H2,1-3H3
InChIKeyCWVQKMZGJFJJDP-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
1-(3-chloro-2-methylphenyl)-N,3-diethylheptan-1-amine
CID 107102078
N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
CID 115806207
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
CID 79712767
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81301494
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
[1-(2,6-difluoro-3-methylphenyl)-3-ethylheptyl]hydrazine
CID 105288270
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine (CID 79522095) is 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine is CCCCC(CC)CC(NCC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine?
The InChIKey is CWVQKMZGJFJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-4-7-9-13(5-2)12-16(20-6-3)17-14(18)10-8-11-15(17)19/h8,10-11,13,16,20H,4-7,9,12H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine?
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine is sourced from PubChem (CID 79522095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).