1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine

C17H20BrFN2 — CID 79740670

IUPAC1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cn1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-3-12-5-6-16(21-11-12)10-17(20-4-2)13-7-14(18)9-15(19)8-13/h5-9,11,17,20H,3-4,10H2,1-2H3
InChIKeyYBSFUPYCNRMGLB-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.44
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine

1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 79740670) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID79740670
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(CC)cn1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-3-12-5-6-16(21-11-12)10-17(20-4-2)13-7-14(18)9-15(19)8-13/h5-9,11,17,20H,3-4,10H2,1-2H3
InChIKeyYBSFUPYCNRMGLB-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine 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

N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
CID 79745845
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014661
[1-(4-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105280856
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine (CID 79740670) is 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(CC)cn1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is YBSFUPYCNRMGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-12-5-6-16(21-11-12)10-17(20-4-2)13-7-14(18)9-15(19)8-13/h5-9,11,17,20H,3-4,10H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 351.26 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 79740670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).