5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine

C14H14BrFN2 — CID 79718989

IUPAC5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H14BrFN2/c1-9-7-12(15)8-17-14(9)18-10(2)11-3-5-13(16)6-4-11/h3-8,10H,1-2H3,(H,17,18)
InChIKeyACJJMRWBAQTRFX-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.46
Rot. Bonds3

About 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine (PubChem CID 79718989) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
PubChem CID79718989
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H14BrFN2/c1-9-7-12(15)8-17-14(9)18-10(2)11-3-5-13(16)6-4-11/h3-8,10H,1-2H3,(H,17,18)
InChIKeyACJJMRWBAQTRFX-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917
2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine (CID 79718989) is 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NC(C)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is ACJJMRWBAQTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-7-12(15)8-17-14(9)18-10(2)11-3-5-13(16)6-4-11/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 309.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79718989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).