2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine

C14H16BrN3 — CID 104801242

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ccncc1
InChIInChI=1S/C14H16BrN3/c1-2-18-14(12-3-5-16-6-4-12)8-11-7-13(15)10-17-9-11/h3-7,9-10,14,18H,2,8H2,1H3
InChIKeyHFBCHPJRVBQJRQ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.13
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine (PubChem CID 104801242) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
PubChem CID104801242
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ccncc1
InChIInChI=1S/C14H16BrN3/c1-2-18-14(12-3-5-16-6-4-12)8-11-7-13(15)10-17-9-11/h3-7,9-10,14,18H,2,8H2,1H3
InChIKeyHFBCHPJRVBQJRQ-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 79709365
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine (CID 104801242) is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine is CCNC(Cc1cncc(Br)c1)c1ccncc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine?
The InChIKey is HFBCHPJRVBQJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-18-14(12-3-5-16-6-4-12)8-11-7-13(15)10-17-9-11/h3-7,9-10,14,18H,2,8H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine?
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 104801242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).