3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine

C14H15BrFN3 — CID 82810474

IUPAC3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFN3/c1-18-14(7-10-8-19-5-4-13(10)17)9-2-3-12(16)11(15)6-9/h2-6,8,14,18H,7H2,1H3,(H2,17,19)
InChIKeyZNAHHORTSMFVMB-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.07
Rot. Bonds4

About 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine

3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine (PubChem CID 82810474) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
PubChem CID82810474
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFN3/c1-18-14(7-10-8-19-5-4-13(10)17)9-2-3-12(16)11(15)6-9/h2-6,8,14,18H,7H2,1H3,(H2,17,19)
InChIKeyZNAHHORTSMFVMB-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine 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

3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 114330482
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
3-[2-(2-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 107923831
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574
3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 107539227
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
CID 114015578
1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine (CID 82810474) is 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine is CNC(Cc1cnccc1N)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine?
The InChIKey is ZNAHHORTSMFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-18-14(7-10-8-19-5-4-13(10)17)9-2-3-12(16)11(15)6-9/h2-6,8,14,18H,7H2,1H3,(H2,17,19).
What are the key properties of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine?
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 82810474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).