N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine

C15H18BrN3 — CID 114868985

IUPACN'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(N(CCN)Cc2ccccc2)ncc1Br
InChIInChI=1S/C15H18BrN3/c1-12-9-15(18-10-14(12)16)19(8-7-17)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,17H2,1H3
InChIKeyFJOYEPXVVYPCNZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.12
Rot. Bonds5

About N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine

N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 114868985) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID114868985
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(N(CCN)Cc2ccccc2)ncc1Br
InChIInChI=1S/C15H18BrN3/c1-12-9-15(18-10-14(12)16)19(8-7-17)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,17H2,1H3
InChIKeyFJOYEPXVVYPCNZ-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
CID 114868959
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-ethyl-4-methyl-N-phenylpyridin-2-amine
CID 114870215
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511766
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
N'-benzyl-N'-(3-methyltriazol-4-yl)ethane-1,2-diamine
CID 130486399
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869637
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
CID 69045703

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine (CID 114868985) is N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine is Cc1cc(N(CCN)Cc2ccccc2)ncc1Br.
What is the InChIKey of N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is FJOYEPXVVYPCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-12-9-15(18-10-14(12)16)19(8-7-17)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,17H2,1H3.
What are the key properties of N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 320.23 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114868985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).