1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine

C17H27F2N — CID 105027083

IUPAC1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H27F2N/c1-5-8-9-13(6-2)17(20-7-3)15-14(18)11-10-12(4)16(15)19/h10-11,13,17,20H,5-9H2,1-4H3
InChIKeyDITZIWWRAACGDM-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.14
Rot. Bonds8

About 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine

1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine (PubChem CID 105027083) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
PubChem CID105027083
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H27F2N/c1-5-8-9-13(6-2)17(20-7-3)15-14(18)11-10-12(4)16(15)19/h10-11,13,17,20H,5-9H2,1-4H3
InChIKeyDITZIWWRAACGDM-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
[1-(2,6-difluoro-3-methylphenyl)-3-ethylheptyl]hydrazine
CID 105288270
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
1-(2,6-difluoro-3-methylphenyl)hexylhydrazine
CID 105294572
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine (CID 105027083) is 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine is CCCCC(CC)C(NCC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine?
The InChIKey is DITZIWWRAACGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-5-8-9-13(6-2)17(20-7-3)15-14(18)11-10-12(4)16(15)19/h10-11,13,17,20H,5-9H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 105027083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).