3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine

C15H17BrFN3 — CID 104507040

IUPAC3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(F)ccc1CCNc1ncc(N)c(C)c1Br
InChIInChI=1S/C15H17BrFN3/c1-9-7-12(17)4-3-11(9)5-6-19-15-14(16)10(2)13(18)8-20-15/h3-4,7-8H,5-6,18H2,1-2H3,(H,19,20)
InChIKeyBDXIZPYBOFIWEN-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.84
Rot. Bonds4

About 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine

3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine (PubChem CID 104507040) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
PubChem CID104507040
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(F)ccc1CCNc1ncc(N)c(C)c1Br
InChIInChI=1S/C15H17BrFN3/c1-9-7-12(17)4-3-11(9)5-6-19-15-14(16)10(2)13(18)8-20-15/h3-4,7-8H,5-6,18H2,1-2H3,(H,19,20)
InChIKeyBDXIZPYBOFIWEN-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine 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

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80852310
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
3,5-dichloro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762299
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine (CID 104507040) is 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine is Cc1cc(F)ccc1CCNc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine?
The InChIKey is BDXIZPYBOFIWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-9-7-12(17)4-3-11(9)5-6-19-15-14(16)10(2)13(18)8-20-15/h3-4,7-8H,5-6,18H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine has a molecular weight of 338.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104507040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).