4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine

C14H16BrN3 — CID 131227921

IUPAC4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(N)ncc1Br
InChIInChI=1S/C14H16BrN3/c1-2-18(10-11-6-4-3-5-7-11)13-8-14(16)17-9-12(13)15/h3-9H,2,10H2,1H3,(H2,16,17)
InChIKeyVFOPWAYDEUWQKL-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.45
Rot. Bonds4

About 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine

4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine (PubChem CID 131227921) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
PubChem CID131227921
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(N)ncc1Br
InChIInChI=1S/C14H16BrN3/c1-2-18(10-11-6-4-3-5-7-11)13-8-14(16)17-9-12(13)15/h3-9H,2,10H2,1H3,(H2,16,17)
InChIKeyVFOPWAYDEUWQKL-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
CID 163436090
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
2-[benzyl(ethyl)amino]-6-bromobenzenecarboximidamide
CID 114883608
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine?
The IUPAC name of 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine (CID 131227921) is 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine is CCN(Cc1ccccc1)c1cc(N)ncc1Br.
What is the InChIKey of 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine?
The InChIKey is VFOPWAYDEUWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-18(10-11-6-4-3-5-7-11)13-8-14(16)17-9-12(13)15/h3-9H,2,10H2,1H3,(H2,16,17).
What are the key properties of 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine?
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine is sourced from PubChem (CID 131227921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).