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

C13H11Br2ClN2 — CID 114019369

IUPAC1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H11Br2ClN2/c14-9-1-2-12(18-7-9)6-13(17)8-3-10(15)5-11(16)4-8/h1-5,7,13H,6,17H2
InChIKeyGJRAGRNCZWPUGI-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.50
Rot. Bonds3

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

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine (PubChem CID 114019369) has the molecular formula C13H11Br2ClN2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
PubChem CID114019369
Molecular FormulaC13H11Br2ClN2
Molecular Weight390.51 g/mol
Exact Mass387.90
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H11Br2ClN2/c14-9-1-2-12(18-7-9)6-13(17)8-3-10(15)5-11(16)4-8/h1-5,7,13H,6,17H2
InChIKeyGJRAGRNCZWPUGI-UHFFFAOYSA-N
XLogP4.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
CID 105036214
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
CID 113456079
1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107945558
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine (CID 114019369) is 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine is NC(Cc1ccc(Br)cn1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The InChIKey is GJRAGRNCZWPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2/c14-9-1-2-12(18-7-9)6-13(17)8-3-10(15)5-11(16)4-8/h1-5,7,13H,6,17H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine has a molecular weight of 390.51 g/mol, XLogP of 4.50, 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-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine is sourced from PubChem (CID 114019369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).