3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine

C14H15BrN2 — CID 104777924

IUPAC3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
SMILESCC(C)c1ccc(Nc2ccncc2Br)cc1
InChIInChI=1S/C14H15BrN2/c1-10(2)11-3-5-12(6-4-11)17-14-7-8-16-9-13(14)15/h3-10H,1-2H3,(H,16,17)
InChIKeyLRIFIJWPVMKQTA-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.71
Rot. Bonds3

About 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine

3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine (PubChem CID 104777924) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
PubChem CID104777924
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
SMILESCC(C)c1ccc(Nc2ccncc2Br)cc1
InChIInChI=1S/C14H15BrN2/c1-10(2)11-3-5-12(6-4-11)17-14-7-8-16-9-13(14)15/h3-10H,1-2H3,(H,16,17)
InChIKeyLRIFIJWPVMKQTA-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-bromo-N-(3,5-dichlorophenyl)pyridin-4-amine
CID 104777922
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
CID 104777947
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine (CID 104777924) is 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine is CC(C)c1ccc(Nc2ccncc2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine?
The InChIKey is LRIFIJWPVMKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10(2)11-3-5-12(6-4-11)17-14-7-8-16-9-13(14)15/h3-10H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine?
3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine has a molecular weight of 291.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 104777924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).