5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine

C14H14BrFN2 — CID 79718767

IUPAC5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1ccc(F)cc1
InChIInChI=1S/C14H14BrFN2/c1-10-8-12(15)9-18-14(10)17-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyDITIKZMRLIQACC-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.95
Rot. Bonds4

About 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine (PubChem CID 79718767) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
PubChem CID79718767
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1ccc(F)cc1
InChIInChI=1S/C14H14BrFN2/c1-10-8-12(15)9-18-14(10)17-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyDITIKZMRLIQACC-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 115148658
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 115148660
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
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-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine (CID 79718767) is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is DITIKZMRLIQACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-10-8-12(15)9-18-14(10)17-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 309.18 g/mol, XLogP of 3.95, 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-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79718767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).