3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine

C15H16BrF2N3 — CID 107539227

IUPAC3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
SMILESCCNC(Cc1cnccc1N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H16BrF2N3/c1-2-21-13(7-9-8-20-6-5-12(9)19)10-3-4-11(17)15(18)14(10)16/h3-6,8,13,21H,2,7H2,1H3,(H2,19,20)
InChIKeyAYRKXAANNILYFL-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.60
Rot. Bonds5

About 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine

3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine (PubChem CID 107539227) has the molecular formula C15H16BrF2N3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
PubChem CID107539227
Molecular FormulaC15H16BrF2N3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
SMILESCCNC(Cc1cnccc1N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H16BrF2N3/c1-2-21-13(7-9-8-20-6-5-12(9)19)10-3-4-11(17)15(18)14(10)16/h3-6,8,13,21H,2,7H2,1H3,(H2,19,20)
InChIKeyAYRKXAANNILYFL-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 82810474
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 107539237
3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360457
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844
3-[2-(2-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 107923831
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107539337
3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
CID 114015578
3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 114330482
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine (CID 107539227) is 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine is CCNC(Cc1cnccc1N)c1ccc(F)c(F)c1Br.
What is the InChIKey of 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine?
The InChIKey is AYRKXAANNILYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3/c1-2-21-13(7-9-8-20-6-5-12(9)19)10-3-4-11(17)15(18)14(10)16/h3-6,8,13,21H,2,7H2,1H3,(H2,19,20).
What are the key properties of 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine?
3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine has a molecular weight of 356.21 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 107539227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).