2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine

C14H16BrN3 — CID 79173849

IUPAC2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)Cc2cccc(Br)c2)ncc1N
InChIInChI=1S/C14H16BrN3/c1-10-6-14(17-8-13(10)16)18(2)9-11-4-3-5-12(15)7-11/h3-8H,9,16H2,1-2H3
InChIKeyGIBBVGIOXOAWGS-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.37
Rot. Bonds3

About 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine

2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 79173849) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID79173849
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)Cc2cccc(Br)c2)ncc1N
InChIInChI=1S/C14H16BrN3/c1-10-6-14(17-8-13(10)16)18(2)9-11-4-3-5-12(15)7-11/h3-8H,9,16H2,1-2H3
InChIKeyGIBBVGIOXOAWGS-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147437
2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147433
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903782
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
1-N-[(3-bromophenyl)methyl]-4-chloro-1-N,5-dimethylbenzene-1,2-diamine
CID 115126569
5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185731
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106
2-N-[(2,5-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147436

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine (CID 79173849) is 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine is Cc1cc(N(C)Cc2cccc(Br)c2)ncc1N.
What is the InChIKey of 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is GIBBVGIOXOAWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-6-14(17-8-13(10)16)18(2)9-11-4-3-5-12(15)7-11/h3-8H,9,16H2,1-2H3.
What are the key properties of 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 79173849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).