1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine

C14H14BrFN2 — CID 66447347

IUPAC1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCC(c1ccncc1)C(N)c1cc(F)ccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9(10-4-6-18-7-5-10)14(17)12-8-11(16)2-3-13(12)15/h2-9,14H,17H2,1H3
InChIKeyBGILBXBZLISQPT-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine

1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66447347) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66447347
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCC(c1ccncc1)C(N)c1cc(F)ccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9(10-4-6-18-7-5-10)14(17)12-8-11(16)2-3-13(12)15/h2-9,14H,17H2,1H3
InChIKeyBGILBXBZLISQPT-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 66461487
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448707
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 103775505
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448703
1-(2-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-ol
CID 81118052
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446566
4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
CID 113396078

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine (CID 66447347) is 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine is CC(c1ccncc1)C(N)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is BGILBXBZLISQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9(10-4-6-18-7-5-10)14(17)12-8-11(16)2-3-13(12)15/h2-9,14H,17H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine?
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 309.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66447347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).