1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine

C14H14BrFN2 — CID 113454867

IUPAC1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cn1)Cc1ccccc1F
InChIInChI=1S/C14H14BrFN2/c15-11-5-6-13(18-9-11)8-12(17)7-10-3-1-2-4-14(10)16/h1-6,9,12H,7-8,17H2
InChIKeyJXXVWQUQCTXCIO-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.10
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine (PubChem CID 113454867) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
PubChem CID113454867
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cn1)Cc1ccccc1F
InChIInChI=1S/C14H14BrFN2/c15-11-5-6-13(18-9-11)8-12(17)7-10-3-1-2-4-14(10)16/h1-6,9,12H,7-8,17H2
InChIKeyJXXVWQUQCTXCIO-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
CID 104799944
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803638
1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65017845
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine (CID 113454867) is 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine is NC(Cc1ccc(Br)cn1)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is JXXVWQUQCTXCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-11-5-6-13(18-9-11)8-12(17)7-10-3-1-2-4-14(10)16/h1-6,9,12H,7-8,17H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 309.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 113454867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).