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

C16H20BrN3 — CID 105366469

IUPACN'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1cnc(N(CCCN)c2ccccc2C)c(Br)c1
InChIInChI=1S/C16H20BrN3/c1-12-10-14(17)16(19-11-12)20(9-5-8-18)15-7-4-3-6-13(15)2/h3-4,6-7,10-11H,5,8-9,18H2,1-2H3
InChIKeyLTRVDKVBFYVNQB-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.95
Rot. Bonds5

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

N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 105366469) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID105366469
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCc1cnc(N(CCCN)c2ccccc2C)c(Br)c1
InChIInChI=1S/C16H20BrN3/c1-12-10-14(17)16(19-11-12)20(9-5-8-18)15-7-4-3-6-13(15)2/h3-4,6-7,10-11H,5,8-9,18H2,1-2H3
InChIKeyLTRVDKVBFYVNQB-UHFFFAOYSA-N
XLogP3.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470
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
3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
CID 105367875
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
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 66340512
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 106875229
5-(2-aminoethyl)-N-ethyl-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 80633214
N'-imidazo[1,2-a]pyridin-5-yl-N'-(2-methylphenyl)propane-1,3-diamine
CID 102625132
5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
CID 103583130

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine (CID 105366469) is N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine is Cc1cnc(N(CCCN)c2ccccc2C)c(Br)c1.
What is the InChIKey of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is LTRVDKVBFYVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-10-14(17)16(19-11-12)20(9-5-8-18)15-7-4-3-6-13(15)2/h3-4,6-7,10-11H,5,8-9,18H2,1-2H3.
What are the key properties of N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine?
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 334.26 g/mol, XLogP of 3.95, 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'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 105366469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).