3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine

C16H20BrN3 — CID 114330482

IUPAC3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H20BrN3/c1-10-6-12(7-11(2)16(10)17)15(19-3)8-13-9-20-5-4-14(13)18/h4-7,9,15,19H,8H2,1-3H3,(H2,18,20)
InChIKeyZNYHRWYDMKQSBD-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.55
Rot. Bonds4

About 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine

3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine (PubChem CID 114330482) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
PubChem CID114330482
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H20BrN3/c1-10-6-12(7-11(2)16(10)17)15(19-3)8-13-9-20-5-4-14(13)18/h4-7,9,15,19H,8H2,1-3H3,(H2,18,20)
InChIKeyZNYHRWYDMKQSBD-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-bromo-3,5-dimethylphenyl)-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-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 82810474
3-[2-(2-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 107923831
3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
CID 114015578
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 114330377
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 65200104
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107309145
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 114932751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine (CID 114330482) is 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine is CNC(Cc1cnccc1N)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine?
The InChIKey is ZNYHRWYDMKQSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10-6-12(7-11(2)16(10)17)15(19-3)8-13-9-20-5-4-14(13)18/h4-7,9,15,19H,8H2,1-3H3,(H2,18,20).
What are the key properties of 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine?
3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 114330482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).