5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine

C14H13BrF2N2 — CID 79719091

IUPAC5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H13BrF2N2/c1-9-4-11(15)8-19-14(9)18-3-2-10-5-12(16)7-13(17)6-10/h4-8H,2-3H2,1H3,(H,18,19)
InChIKeyWYBCSTXXAMEQDE-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.09
Rot. Bonds4

About 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine (PubChem CID 79719091) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
PubChem CID79719091
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C14H13BrF2N2/c1-9-4-11(15)8-19-14(9)18-3-2-10-5-12(16)7-13(17)6-10/h4-8H,2-3H2,1H3,(H,18,19)
InChIKeyWYBCSTXXAMEQDE-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 115148658
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 115148660
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine (CID 79719091) is 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCc1cc(F)cc(F)c1.
What is the InChIKey of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is WYBCSTXXAMEQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-9-4-11(15)8-19-14(9)18-3-2-10-5-12(16)7-13(17)6-10/h4-8H,2-3H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 327.17 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79719091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).