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

C13H11Br2ClN2 — CID 114027189

IUPAC1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H11Br2ClN2/c14-8-1-3-10(18-7-8)6-13(17)11-5-9(16)2-4-12(11)15/h1-5,7,13H,6,17H2
InChIKeyYTRXZKFOQWZRNB-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.50
Rot. Bonds3

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

1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine (PubChem CID 114027189) has the molecular formula C13H11Br2ClN2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
PubChem CID114027189
Molecular FormulaC13H11Br2ClN2
Molecular Weight390.51 g/mol
Exact Mass387.90
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cn1)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H11Br2ClN2/c14-8-1-3-10(18-7-8)6-13(17)11-5-9(16)2-4-12(11)15/h1-5,7,13H,6,17H2
InChIKeyYTRXZKFOQWZRNB-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-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461
1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014621
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(1R)-1-(2-bromo-5-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171203724
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine (CID 114027189) is 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine is NC(Cc1ccc(Br)cn1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
The InChIKey is YTRXZKFOQWZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2/c14-8-1-3-10(18-7-8)6-13(17)11-5-9(16)2-4-12(11)15/h1-5,7,13H,6,17H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine?
1-(2-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-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine is sourced from PubChem (CID 114027189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).