N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine

C15H17BrFN3 — CID 105366470

IUPACN'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESCc1cnc(N(CCCN)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H17BrFN3/c1-11-9-14(16)15(19-10-11)20(8-2-7-18)13-5-3-12(17)4-6-13/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyRZSZVBARQOMKHR-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.78
Rot. Bonds5

About N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine

N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (PubChem CID 105366470) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
PubChem CID105366470
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC NameN'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESCc1cnc(N(CCCN)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H17BrFN3/c1-11-9-14(16)15(19-10-11)20(8-2-7-18)13-5-3-12(17)4-6-13/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyRZSZVBARQOMKHR-UHFFFAOYSA-N
XLogP3.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 114835413
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63208164
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 114835416
N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 60871203
3-[N-(3-aminopropyl)-4-fluoroanilino]-1H-pyrazin-2-one
CID 114570610
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43136242
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
CID 105367875
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 63589833

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (CID 105366470) is N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine is Cc1cnc(N(CCCN)c2ccc(F)cc2)c(Br)c1.
What is the InChIKey of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The InChIKey is RZSZVBARQOMKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-11-9-14(16)15(19-10-11)20(8-2-7-18)13-5-3-12(17)4-6-13/h3-6,9-10H,2,7-8,18H2,1H3.
What are the key properties of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine has a molecular weight of 338.22 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 105366470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).