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

C15H15BrF2N2 — CID 106645887

IUPACN-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1cccc(Br)c1F
InChIInChI=1S/C15H15BrF2N2/c1-2-8-19-15(13-7-6-10(17)9-20-13)11-4-3-5-12(16)14(11)18/h3-7,9,15,19H,2,8H2,1H3
InChIKeyVPSUXHXUYIWPOM-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.21
Rot. Bonds5

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

N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 106645887) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID106645887
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC NameN-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1cccc(Br)c1F
InChIInChI=1S/C15H15BrF2N2/c1-2-8-19-15(13-7-6-10(17)9-20-13)11-4-3-5-12(16)14(11)18/h3-7,9,15,19H,2,8H2,1H3
InChIKeyVPSUXHXUYIWPOM-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-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[(3-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107977964
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106645666
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 114745818
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 106645853

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 106645887) is N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cn1)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is VPSUXHXUYIWPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-2-8-19-15(13-7-6-10(17)9-20-13)11-4-3-5-12(16)14(11)18/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine?
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-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-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106645887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).