1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine

C17H27F2N — CID 79724133

IUPAC1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H27F2N/c1-11(10-17(3,4)5)7-16(20-6)13-8-12(2)14(18)9-15(13)19/h8-9,11,16,20H,7,10H2,1-6H3
InChIKeyXUVFLJNCKAPWGF-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.00
Rot. Bonds5

About 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine

1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 79724133) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID79724133
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H27F2N/c1-11(10-17(3,4)5)7-16(20-6)13-8-12(2)14(18)9-15(13)19/h8-9,11,16,20H,7,10H2,1-6H3
InChIKeyXUVFLJNCKAPWGF-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 79726732
1-(4-fluoro-3-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79746883
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 65299631
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
N-ethyl-1-(2-fluoro-5-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 115852817
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845535
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 79724133) is 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is XUVFLJNCKAPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-11(10-17(3,4)5)7-16(20-6)13-8-12(2)14(18)9-15(13)19/h8-9,11,16,20H,7,10H2,1-6H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 79724133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).