1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine

C16H24BrF2N — CID 105028858

IUPAC1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H24BrF2N/c1-4-8-20-15(7-5-6-11(2)3)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,4-8H2,1-3H3
InChIKeyQCTQHMXTPICLLP-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.59
Rot. Bonds8

About 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine

1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 105028858) has the molecular formula C16H24BrF2N and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID105028858
Molecular FormulaC16H24BrF2N
Molecular Weight348.28 g/mol
Exact Mass347.11
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H24BrF2N/c1-4-8-20-15(7-5-6-11(2)3)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,4-8H2,1-3H3
InChIKeyQCTQHMXTPICLLP-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028277
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644
N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
CID 105028817
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
N-[1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841679
1-(3-bromo-2,6-difluorophenyl)-N-propylpentan-1-amine
CID 106942793

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine (CID 105028858) is 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is QCTQHMXTPICLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrF2N/c1-4-8-20-15(7-5-6-11(2)3)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,4-8H2,1-3H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine?
1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105028858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).