1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine

C13H11Br2FN2 — CID 104802830

IUPAC1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H11Br2FN2/c14-10-3-9(4-12(16)5-10)13(17)2-8-1-11(15)7-18-6-8/h1,3-7,13H,2,17H2
InChIKeyJNEXNIIMNMGHLT-UHFFFAOYSA-N
MW374.05 g/mol
LogP3.99
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine

1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine (PubChem CID 104802830) has the molecular formula C13H11Br2FN2 and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
PubChem CID104802830
Molecular FormulaC13H11Br2FN2
Molecular Weight374.05 g/mol
Exact Mass371.93
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H11Br2FN2/c14-10-3-9(4-12(16)5-10)13(17)2-8-1-11(15)7-18-6-8/h1,3-7,13H,2,17H2
InChIKeyJNEXNIIMNMGHLT-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine (CID 104802830) is 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine is NC(Cc1cncc(Br)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine?
The InChIKey is JNEXNIIMNMGHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2/c14-10-3-9(4-12(16)5-10)13(17)2-8-1-11(15)7-18-6-8/h1,3-7,13H,2,17H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine has a molecular weight of 374.05 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine is sourced from PubChem (CID 104802830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).