3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine

C15H17BrFN3 — CID 114894906

IUPAC3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(Cc1cccnc1N)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFN3/c1-2-19-14(8-10-4-3-7-20-15(10)18)12-9-11(16)5-6-13(12)17/h3-7,9,14,19H,2,8H2,1H3,(H2,18,20)
InChIKeySCNUAOXGGNCSNA-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.46
Rot. Bonds5

About 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine

3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine (PubChem CID 114894906) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
PubChem CID114894906
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(Cc1cccnc1N)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFN3/c1-2-19-14(8-10-4-3-7-20-15(10)18)12-9-11(16)5-6-13(12)17/h3-7,9,14,19H,2,8H2,1H3,(H2,18,20)
InChIKeySCNUAOXGGNCSNA-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105132112
3-[2-(2,6-difluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 79522491
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282
3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine (CID 114894906) is 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine is CCNC(Cc1cccnc1N)c1cc(Br)ccc1F.
What is the InChIKey of 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
The InChIKey is SCNUAOXGGNCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-2-19-14(8-10-4-3-7-20-15(10)18)12-9-11(16)5-6-13(12)17/h3-7,9,14,19H,2,8H2,1H3,(H2,18,20).
What are the key properties of 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine?
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine has a molecular weight of 338.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 114894906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).