6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine

C13H19BrFN — CID 79709363

IUPAC6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1cc(F)cc(Br)c1)NC
InChIInChI=1S/C13H19BrFN/c1-3-13(16-2)6-4-5-10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3
InChIKeyFRLSQCWEJGLXQK-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.91
Rot. Bonds6

About 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine

6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine (PubChem CID 79709363) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
PubChem CID79709363
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1cc(F)cc(Br)c1)NC
InChIInChI=1S/C13H19BrFN/c1-3-13(16-2)6-4-5-10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3
InChIKeyFRLSQCWEJGLXQK-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
CID 79709529
1-bromo-3-(3-bromohexyl)-5-fluorobenzene
CID 79709491
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
CID 79709444
4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
CID 79709304
4-(3-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 79709608
4-(3-bromo-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 79709686
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
CID 79710759
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine?
The IUPAC name of 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine (CID 79709363) is 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine is CCC(CCCc1cc(F)cc(Br)c1)NC.
What is the InChIKey of 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine?
The InChIKey is FRLSQCWEJGLXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-13(16-2)6-4-5-10-7-11(14)9-12(15)8-10/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine?
6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine has a molecular weight of 288.20 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine is sourced from PubChem (CID 79709363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).