N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine

C14H20F3N — CID 105028817

IUPACN,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
SMILESCNC(CCCC(C)C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H20F3N/c1-9(2)5-4-6-13(18-3)14-11(16)7-10(15)8-12(14)17/h7-9,13,18H,4-6H2,1-3H3
InChIKeyZDRHTTSKBLKIMG-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.19
Rot. Bonds6

About N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine

N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine (PubChem CID 105028817) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
PubChem CID105028817
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
SMILESCNC(CCCC(C)C)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H20F3N/c1-9(2)5-4-6-13(18-3)14-11(16)7-10(15)8-12(14)17/h7-9,13,18H,4-6H2,1-3H3
InChIKeyZDRHTTSKBLKIMG-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858
1-(4-chloro-2,5-difluorophenyl)-N,5-dimethylhexan-1-amine
CID 105028716
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
3,5-difluoro-1-N-(4-methylpentyl)benzene-1,2-diamine
CID 115506964
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
CID 107012101
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine?
The IUPAC name of N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine (CID 105028817) is N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine.
What is the SMILES notation for N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine?
The canonical SMILES for N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine is CNC(CCCC(C)C)c1c(F)cc(F)cc1F.
What is the InChIKey of N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine?
The InChIKey is ZDRHTTSKBLKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-9(2)5-4-6-13(18-3)14-11(16)7-10(15)8-12(14)17/h7-9,13,18H,4-6H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine?
N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine is sourced from PubChem (CID 105028817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).