2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine

C13H12BrClN2 — CID 104801052

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12BrClN2/c14-11-5-9(7-17-8-11)6-13(16)10-1-3-12(15)4-2-10/h1-5,7-8,13H,6,16H2
InChIKeyISXRLARYNJIBKV-UHFFFAOYSA-N
MW311.61 g/mol
LogP3.74
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine (PubChem CID 104801052) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
PubChem CID104801052
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12BrClN2/c14-11-5-9(7-17-8-11)6-13(16)10-1-3-12(15)4-2-10/h1-5,7-8,13H,6,16H2
InChIKeyISXRLARYNJIBKV-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine (CID 104801052) is 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine is NC(Cc1cncc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine?
The InChIKey is ISXRLARYNJIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c14-11-5-9(7-17-8-11)6-13(16)10-1-3-12(15)4-2-10/h1-5,7-8,13H,6,16H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine has a molecular weight of 311.61 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 104801052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).