3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine

C15H17BrN2 — CID 113452139

IUPAC3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
SMILESCCc1cccc(CC)c1Nc1ccncc1Br
InChIInChI=1S/C15H17BrN2/c1-3-11-6-5-7-12(4-2)15(11)18-14-8-9-17-10-13(14)16/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyPCFQJQMLMKOFQZ-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine

3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine (PubChem CID 113452139) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
PubChem CID113452139
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
SMILESCCc1cccc(CC)c1Nc1ccncc1Br
InChIInChI=1S/C15H17BrN2/c1-3-11-6-5-7-12(4-2)15(11)18-14-8-9-17-10-13(14)16/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyPCFQJQMLMKOFQZ-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-ethylpyridine
CID 13160533
3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine
CID 176734492
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
3-(2-ethyl-6-methylanilino)pyridine-4-carbothioamide
CID 114288025
3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 104778246
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
4-amino-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 81235051
3-(2,6-diethylanilino)benzene-1,2-diol
CID 141324141
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine (CID 113452139) is 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine is CCc1cccc(CC)c1Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine?
The InChIKey is PCFQJQMLMKOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-3-11-6-5-7-12(4-2)15(11)18-14-8-9-17-10-13(14)16/h5-10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine?
3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine has a molecular weight of 305.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine is sourced from PubChem (CID 113452139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).