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

C15H15BrF2N2 — CID 115805273

IUPACN-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1cc(F)ccc1Br
InChIInChI=1S/C15H15BrF2N2/c1-2-5-20-15(10-6-12(18)9-19-8-10)13-7-11(17)3-4-14(13)16/h3-4,6-9,15,20H,2,5H2,1H3
InChIKeyMWFFSLGQBYRELO-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.21
Rot. Bonds5

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

N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115805273) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
PubChem CID115805273
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1cc(F)ccc1Br
InChIInChI=1S/C15H15BrF2N2/c1-2-5-20-15(10-6-12(18)9-19-8-10)13-7-11(17)3-4-14(13)16/h3-4,6-9,15,20H,2,5H2,1H3
InChIKeyMWFFSLGQBYRELO-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-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(2-bromo-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130545
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388
N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497695

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (CID 115805273) is N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)c1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is MWFFSLGQBYRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-2-5-20-15(10-6-12(18)9-19-8-10)13-7-11(17)3-4-14(13)16/h3-4,6-9,15,20H,2,5H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
N-[(2-bromo-5-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-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115805273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).