1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine

C15H23F2N — CID 83161275

IUPAC1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1c(F)cccc1F
InChIInChI=1S/C15H23F2N/c1-4-18-14(10-5-7-11(2)3)15-12(16)8-6-9-13(15)17/h6,8-9,11,14,18H,4-5,7,10H2,1-3H3
InChIKeyKJTZPDAHWRXVGC-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.44
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine

1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 83161275) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID83161275
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1c(F)cccc1F
InChIInChI=1S/C15H23F2N/c1-4-18-14(10-5-7-11(2)3)15-12(16)8-6-9-13(15)17/h6,8-9,11,14,18H,4-5,7,10H2,1-3H3
InChIKeyKJTZPDAHWRXVGC-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.44
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-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
2-tert-butylsulfanyl-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 65133111
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine (CID 83161275) is 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is KJTZPDAHWRXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-18-14(10-5-7-11(2)3)15-12(16)8-6-9-13(15)17/h6,8-9,11,14,18H,4-5,7,10H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine?
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 4.44, 7 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-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 83161275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).