2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine

C13H11BrCl2N2 — CID 103443743

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H11BrCl2N2/c14-9-4-3-8(11(16)7-9)6-12(17)13-10(15)2-1-5-18-13/h1-5,7,12H,6,17H2
InChIKeyYOSKKJJBRQWWGG-UHFFFAOYSA-N
MW346.06 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine (PubChem CID 103443743) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
PubChem CID103443743
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H11BrCl2N2/c14-9-4-3-8(11(16)7-9)6-12(17)13-10(15)2-1-5-18-13/h1-5,7,12H,6,17H2
InChIKeyYOSKKJJBRQWWGG-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443505
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
[2-(4-bromo-2-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209275
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 105038039

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine (CID 103443743) is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1ncccc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine?
The InChIKey is YOSKKJJBRQWWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c14-9-4-3-8(11(16)7-9)6-12(17)13-10(15)2-1-5-18-13/h1-5,7,12H,6,17H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine has a molecular weight of 346.06 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 103443743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).