1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine

C15H23BrFN — CID 114201055

IUPAC1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
SMILESCNC(CC(C)CC(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFN/c1-10(2)7-11(3)8-15(18-4)13-9-12(16)5-6-14(13)17/h5-6,9-11,15,18H,7-8H2,1-4H3
InChIKeyJFZNMUNHHJBPKR-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.92
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine

1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine (PubChem CID 114201055) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
PubChem CID114201055
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
SMILESCNC(CC(C)CC(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFN/c1-10(2)7-11(3)8-15(18-4)13-9-12(16)5-6-14(13)17/h5-6,9-11,15,18H,7-8H2,1-4H3
InChIKeyJFZNMUNHHJBPKR-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
1-[4-bromo-2-(trifluoromethyl)phenyl]-N,3-dimethylbutan-1-amine
CID 63416172
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114201019

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine (CID 114201055) is 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine is CNC(CC(C)CC(C)C)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine?
The InChIKey is JFZNMUNHHJBPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-10(2)7-11(3)8-15(18-4)13-9-12(16)5-6-14(13)17/h5-6,9-11,15,18H,7-8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine?
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine is sourced from PubChem (CID 114201055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).