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

C14H15BrFN3 — CID 82809316

IUPAC3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFN3/c1-18-13(8-10-3-2-6-19-14(10)17)9-4-5-12(16)11(15)7-9/h2-7,13,18H,8H2,1H3,(H2,17,19)
InChIKeyMMUBNPWVMKDZQV-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.07
Rot. Bonds4

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

3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 82809316) 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-2-amine.

Molecular Properties

Compound Name3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID82809316
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFN3/c1-18-13(8-10-3-2-6-19-14(10)17)9-4-5-12(16)11(15)7-9/h2-7,13,18H,8H2,1H3,(H2,17,19)
InChIKeyMMUBNPWVMKDZQV-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-2-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-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 115567050
3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
CID 82809422
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 82810474
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
CID 107920651
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
3-[2-(4-chlorophenyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105193448
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
3-[2-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 114894906
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447661
3-[2-(methylamino)-2-thieno[3,2-b]pyridin-6-ylethyl]pyridin-2-amine
CID 81143119

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine (CID 82809316) is 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1cccnc1N)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is MMUBNPWVMKDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-18-13(8-10-3-2-6-19-14(10)17)9-4-5-12(16)11(15)7-9/h2-7,13,18H,8H2,1H3,(H2,17,19).
What are the key properties of 3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-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-2-amine is sourced from PubChem (CID 82809316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).