2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine

C16H19BrN2 — CID 105036525

IUPAC2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccc(Br)cn1)NC
InChIInChI=1S/C16H19BrN2/c1-3-12-6-4-5-7-15(12)16(18-2)10-14-9-8-13(17)11-19-14/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyFLJPNQMJGTWDDK-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.91
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine

2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine (PubChem CID 105036525) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
PubChem CID105036525
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccc(Br)cn1)NC
InChIInChI=1S/C16H19BrN2/c1-3-12-6-4-5-7-15(12)16(18-2)10-14-9-8-13(17)11-19-14/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyFLJPNQMJGTWDDK-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
1-(2-bromo-3,4-difluorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 107539014
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine (CID 105036525) is 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine is CCc1ccccc1C(Cc1ccc(Br)cn1)NC.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
The InChIKey is FLJPNQMJGTWDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-12-6-4-5-7-15(12)16(18-2)10-14-9-8-13(17)11-19-14/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine?
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine has a molecular weight of 319.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 105036525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).