3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine

C19H17BrN2 — CID 11681875

IUPAC3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine
SMILESNc1nc(C(Cc2ccccc2)c2ccccc2)ccc1Br
InChIInChI=1S/C19H17BrN2/c20-17-11-12-18(22-19(17)21)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,21,22)
InChIKeyRPUWFHNWBKOMEM-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.80
Rot. Bonds4

About 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine

3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine (PubChem CID 11681875) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine
PubChem CID11681875
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC Name3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine
SMILESNc1nc(C(Cc2ccccc2)c2ccccc2)ccc1Br
InChIInChI=1S/C19H17BrN2/c20-17-11-12-18(22-19(17)21)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,21,22)
InChIKeyRPUWFHNWBKOMEM-UHFFFAOYSA-N
XLogP4.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine (CID 11681875) is 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine is Nc1nc(C(Cc2ccccc2)c2ccccc2)ccc1Br.
What is the InChIKey of 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
The InChIKey is RPUWFHNWBKOMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2/c20-17-11-12-18(22-19(17)21)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,21,22).
What are the key properties of 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine?
3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine has a molecular weight of 353.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(1,2-diphenylethyl)pyridin-2-amine is sourced from PubChem (CID 11681875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).