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

C14H15BrFN3 — CID 66425232

IUPAC4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H15BrFN3/c1-18-13(4-9-2-3-19-14(17)5-9)10-6-11(15)8-12(16)7-10/h2-3,5-8,13,18H,4H2,1H3,(H2,17,19)
InChIKeyATMKDCZTVJOEQC-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.07
Rot. Bonds4

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

4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 66425232) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID66425232
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H15BrFN3/c1-18-13(4-9-2-3-19-14(17)5-9)10-6-11(15)8-12(16)7-10/h2-3,5-8,13,18H,4H2,1H3,(H2,17,19)
InChIKeyATMKDCZTVJOEQC-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

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Related Compounds

4-[2-(3,5-difluorophenyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105207856
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
4-[2-(methylamino)-2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 65195778
1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877389
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
[2-(3-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105238513
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 66426032
1-(3-bromo-5-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 66425234
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine (CID 66425232) is 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is ATMKDCZTVJOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-18-13(4-9-2-3-19-14(17)5-9)10-6-11(15)8-12(16)7-10/h2-3,5-8,13,18H,4H2,1H3,(H2,17,19).
What are the key properties of 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
4-[2-(3-bromo-5-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 4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 66425232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).