6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine

C14H16BrN3 — CID 80759261

IUPAC6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H16BrN3/c1-3-16-13-5-4-6-14(18-13)17-12-8-7-11(15)9-10(12)2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGFASWODQHQMGOZ-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.33
Rot. Bonds4

About 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine

6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 80759261) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID80759261
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H16BrN3/c1-3-16-13-5-4-6-14(18-13)17-12-8-7-11(15)9-10(12)2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGFASWODQHQMGOZ-UHFFFAOYSA-N
XLogP4.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
4-bromo-N-ethyl-2-methylaniline
CID 23053407
6-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103587849
6-(4-bromo-2-methylanilino)pyridine-2-carbothioamide
CID 64588029
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103417125
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine (CID 80759261) is 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is GFASWODQHQMGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-16-13-5-4-6-14(18-13)17-12-8-7-11(15)9-10(12)2/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 306.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80759261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).