6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine

C14H16BrN3O — CID 82862442

IUPAC6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-13-5-4-6-14(18-13)17-11-7-10(15)8-12(9-11)19-2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyUBZOPGFNTGGVNN-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.03
Rot. Bonds5

About 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine

6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 82862442) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID82862442
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-13-5-4-6-14(18-13)17-11-7-10(15)8-12(9-11)19-2/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyUBZOPGFNTGGVNN-UHFFFAOYSA-N
XLogP4.03
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
CID 80824451
6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103417125
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
CID 80759443
6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
CID 80753539
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (CID 82862442) is 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2cc(Br)cc(OC)c2)n1.
What is the InChIKey of 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is UBZOPGFNTGGVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-16-13-5-4-6-14(18-13)17-11-7-10(15)8-12(9-11)19-2/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 322.21 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 82862442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).