N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine

C15H17BrClN3 — CID 114835412

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)c1ncc(Cl)cc1Br
InChIInChI=1S/C15H17BrClN3/c1-11-5-2-3-6-14(11)20(8-4-7-18)15-13(16)9-12(17)10-19-15/h2-3,5-6,9-10H,4,7-8,18H2,1H3
InChIKeyZIDLYRCOTGNVIN-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.29
Rot. Bonds5

About N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 114835412) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID114835412
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)c1ncc(Cl)cc1Br
InChIInChI=1S/C15H17BrClN3/c1-11-5-2-3-6-14(11)20(8-4-7-18)15-13(16)9-12(17)10-19-15/h2-3,5-6,9-10H,4,7-8,18H2,1H3
InChIKeyZIDLYRCOTGNVIN-UHFFFAOYSA-N
XLogP4.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-fluorophenyl)propane-1,3-diamine
CID 114835413
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 114835416
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
CID 114835457
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 79712264
N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136023
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 79728401
5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
CID 103583130
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
CID 62938394
N'-(5-bromopyrimidin-4-yl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 66340075

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine (CID 114835412) is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine is Cc1ccccc1N(CCCN)c1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is ZIDLYRCOTGNVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-11-5-2-3-6-14(11)20(8-4-7-18)15-13(16)9-12(17)10-19-15/h2-3,5-6,9-10H,4,7-8,18H2,1H3.
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 354.68 g/mol, XLogP of 4.29, 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-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 114835412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).