5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C15H17BrFN3 — CID 82963519

IUPAC5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(Nc1ccc(N(C)C)nc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFN3/c1-10(13-8-11(16)4-6-14(13)17)19-12-5-7-15(18-9-12)20(2)3/h4-10,19H,1-3H3
InChIKeySFTYJVRWZLSOPU-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.22
Rot. Bonds4

About 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 82963519) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID82963519
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(Nc1ccc(N(C)C)nc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFN3/c1-10(13-8-11(16)4-6-14(13)17)19-12-5-7-15(18-9-12)20(2)3/h4-10,19H,1-3H3
InChIKeySFTYJVRWZLSOPU-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 82963519) is 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is CC(Nc1ccc(N(C)C)nc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is SFTYJVRWZLSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-10(13-8-11(16)4-6-14(13)17)19-12-5-7-15(18-9-12)20(2)3/h4-10,19H,1-3H3.
What are the key properties of 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 338.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 82963519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).