1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine

C15H15Br2FN2 — CID 105036487

IUPAC1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15Br2FN2/c1-2-19-15(8-12-5-4-11(16)9-20-12)10-3-6-13(17)14(18)7-10/h3-7,9,15,19H,2,8H2,1H3
InChIKeyOGEVVHDEVAWAQV-UHFFFAOYSA-N
MW402.11 g/mol
LogP4.64
Rot. Bonds5

About 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine

1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine (PubChem CID 105036487) has the molecular formula C15H15Br2FN2 and a molecular weight of 402.11 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
PubChem CID105036487
Molecular FormulaC15H15Br2FN2
Molecular Weight402.11 g/mol
Exact Mass399.96
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15Br2FN2/c1-2-19-15(8-12-5-4-11(16)9-20-12)10-3-6-13(17)14(18)7-10/h3-7,9,15,19H,2,8H2,1H3
InChIKeyOGEVVHDEVAWAQV-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine (CID 105036487) is 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cn1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
The InChIKey is OGEVVHDEVAWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2FN2/c1-2-19-15(8-12-5-4-11(16)9-20-12)10-3-6-13(17)14(18)7-10/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine?
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine has a molecular weight of 402.11 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 105036487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).