2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine

C15H18BrN3 — CID 115147511

IUPAC2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)CCc2ccccc2Br)ncc1N
InChIInChI=1S/C15H18BrN3/c1-11-9-15(18-10-14(11)17)19(2)8-7-12-5-3-4-6-13(12)16/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyWRLMGEQQMIOOSH-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.41
Rot. Bonds4

About 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine

2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 115147511) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID115147511
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)CCc2ccccc2Br)ncc1N
InChIInChI=1S/C15H18BrN3/c1-11-9-15(18-10-14(11)17)19(2)8-7-12-5-3-4-6-13(12)16/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyWRLMGEQQMIOOSH-UHFFFAOYSA-N
XLogP3.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
2-N-[2-(2-bromophenyl)ethyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147784
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125164
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
2-N-[(2,5-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147436
2-N-(2-cyclohexylethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 115147509
2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride
CID 129319878
2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147433
2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine
CID 131097140
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine (CID 115147511) is 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine is Cc1cc(N(C)CCc2ccccc2Br)ncc1N.
What is the InChIKey of 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is WRLMGEQQMIOOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-9-15(18-10-14(11)17)19(2)8-7-12-5-3-4-6-13(12)16/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine?
2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).