3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine

C15H16BrFN2 — CID 105367909

IUPAC3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)C(C)c2ccccc2F)c(Br)c1
InChIInChI=1S/C15H16BrFN2/c1-10-8-13(16)15(18-9-10)19(3)11(2)12-6-4-5-7-14(12)17/h4-9,11H,1-3H3
InChIKeyKMNNWDLOHCUTNS-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.49
Rot. Bonds3

About 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine

3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine (PubChem CID 105367909) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
PubChem CID105367909
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)C(C)c2ccccc2F)c(Br)c1
InChIInChI=1S/C15H16BrFN2/c1-10-8-13(16)15(18-9-10)19(3)11(2)12-6-4-5-7-14(12)17/h4-9,11H,1-3H3
InChIKeyKMNNWDLOHCUTNS-UHFFFAOYSA-N
XLogP4.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
CID 105367875
5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 63008221
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
CID 105367908
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
CID 80636823
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
[2-[1-(2-fluorophenyl)ethyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 62984852
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62984909
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine (CID 105367909) is 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine is Cc1cnc(N(C)C(C)c2ccccc2F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
The InChIKey is KMNNWDLOHCUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-8-13(16)15(18-9-10)19(3)11(2)12-6-4-5-7-14(12)17/h4-9,11H,1-3H3.
What are the key properties of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine has a molecular weight of 323.21 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 105367909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).