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

C15H16BrFN2 — CID 79709365

IUPAC2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1ccncc1
InChIInChI=1S/C15H16BrFN2/c1-2-19-15(12-3-5-18-6-4-12)9-11-7-13(16)10-14(17)8-11/h3-8,10,15,19H,2,9H2,1H3
InChIKeyIXEHYBRMQAIKCY-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.88
Rot. Bonds5

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

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine (PubChem CID 79709365) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
PubChem CID79709365
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)c1ccncc1
InChIInChI=1S/C15H16BrFN2/c1-2-19-15(12-3-5-18-6-4-12)9-11-7-13(16)10-14(17)8-11/h3-8,10,15,19H,2,9H2,1H3
InChIKeyIXEHYBRMQAIKCY-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 79709118
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105015717
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine (CID 79709365) is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine is CCNC(Cc1cc(F)cc(Br)c1)c1ccncc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine?
The InChIKey is IXEHYBRMQAIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-2-19-15(12-3-5-18-6-4-12)9-11-7-13(16)10-14(17)8-11/h3-8,10,15,19H,2,9H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine?
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 79709365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).