N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine

C18H15BrN2 — CID 67286698

IUPACN-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine
SMILESCc1ccccc1N(c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2/c1-14-4-2-3-5-18(14)21(17-10-12-20-13-11-17)16-8-6-15(19)7-9-16/h2-13H,1H3
InChIKeyPBZWLGXXMAFETE-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.62
Rot. Bonds3

About N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine

N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine (PubChem CID 67286698) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine
PubChem CID67286698
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC NameN-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine
SMILESCc1ccccc1N(c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2/c1-14-4-2-3-5-18(14)21(17-10-12-20-13-11-17)16-8-6-15(19)7-9-16/h2-13H,1H3
InChIKeyPBZWLGXXMAFETE-UHFFFAOYSA-N
XLogP5.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine?
The IUPAC name of N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine (CID 67286698) is N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine is Cc1ccccc1N(c1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine?
The InChIKey is PBZWLGXXMAFETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c1-14-4-2-3-5-18(14)21(17-10-12-20-13-11-17)16-8-6-15(19)7-9-16/h2-13H,1H3.
What are the key properties of N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine?
N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine has a molecular weight of 339.24 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 67286698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).