N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine

C15H15BrF2N2 — CID 114887388

IUPACN-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1c(F)cccc1Br
InChIInChI=1S/C15H15BrF2N2/c1-2-6-20-15(10-7-11(17)9-19-8-10)14-12(16)4-3-5-13(14)18/h3-5,7-9,15,20H,2,6H2,1H3
InChIKeyCMYJSQXEFKKHAO-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.21
Rot. Bonds5

About N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine

N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (PubChem CID 114887388) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
PubChem CID114887388
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1c(F)cccc1Br
InChIInChI=1S/C15H15BrF2N2/c1-2-6-20-15(10-7-11(17)9-19-8-10)14-12(16)4-3-5-13(14)18/h3-5,7-9,15,20H,2,6H2,1H3
InChIKeyCMYJSQXEFKKHAO-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805273
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114558955
N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 114558957
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585
N-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (CID 114887388) is N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is CMYJSQXEFKKHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-2-6-20-15(10-7-11(17)9-19-8-10)14-12(16)4-3-5-13(14)18/h3-5,7-9,15,20H,2,6H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 341.20 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114887388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).