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

C17H20BrFN2 — CID 82732649

IUPAC2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1ncccc1CC
InChIInChI=1S/C17H20BrFN2/c1-3-12-6-5-9-21-17(12)16(20-4-2)11-13-10-14(18)7-8-15(13)19/h5-10,16,20H,3-4,11H2,1-2H3
InChIKeyKSKAEQGASNBKDY-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.44
Rot. Bonds6

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

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine (PubChem CID 82732649) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
PubChem CID82732649
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1ncccc1CC
InChIInChI=1S/C17H20BrFN2/c1-3-12-6-5-9-21-17(12)16(20-4-2)11-13-10-14(18)7-8-15(13)19/h5-10,16,20H,3-4,11H2,1-2H3
InChIKeyKSKAEQGASNBKDY-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 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-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

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105132112
1-(3-bromo-2-pyridinyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049088
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
[2-(5-bromo-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209222
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
N-[(5-bromo-2-fluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733080
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine (CID 82732649) is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine is CCNC(Cc1cc(Br)ccc1F)c1ncccc1CC.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
The InChIKey is KSKAEQGASNBKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-12-6-5-9-21-17(12)16(20-4-2)11-13-10-14(18)7-8-15(13)19/h5-10,16,20H,3-4,11H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-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 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 82732649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).