1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine

C15H18BrN3 — CID 63963887

IUPAC1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2cccc(Br)n2)cc1
InChIInChI=1S/C15H18BrN3/c1-3-19(4-2)13-10-8-12(9-11-13)17-15-7-5-6-14(16)18-15/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyVXHQUYDCGDTRAQ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.43
Rot. Bonds5

About 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 63963887) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID63963887
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2cccc(Br)n2)cc1
InChIInChI=1S/C15H18BrN3/c1-3-19(4-2)13-10-8-12(9-11-13)17-15-7-5-6-14(16)18-15/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyVXHQUYDCGDTRAQ-UHFFFAOYSA-N
XLogP4.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
CID 63960879
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
5-N-[4-(diethylamino)phenyl]-3-N-(2,6-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112968893
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 63963887) is 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(Nc2cccc(Br)n2)cc1.
What is the InChIKey of 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is VXHQUYDCGDTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-19(4-2)13-10-8-12(9-11-13)17-15-7-5-6-14(16)18-15/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 320.23 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 63963887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).