5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine

C16H17BrN2O — CID 133474083

IUPAC5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
SMILESBrc1cncc(NC2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C16H17BrN2O/c17-13-8-15(11-18-10-13)19-14-6-7-20-16(9-14)12-4-2-1-3-5-12/h1-5,8,10-11,14,16,19H,6-7,9H2
InChIKeyQBMOOJQMJDIDTD-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.18
Rot. Bonds3

About 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine

5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine (PubChem CID 133474083) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
PubChem CID133474083
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
SMILESBrc1cncc(NC2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C16H17BrN2O/c17-13-8-15(11-18-10-13)19-14-6-7-20-16(9-14)12-4-2-1-3-5-12/h1-5,8,10-11,14,16,19H,6-7,9H2
InChIKeyQBMOOJQMJDIDTD-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine (CID 133474083) is 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine is Brc1cncc(NC2CCOC(c3ccccc3)C2)c1.
What is the InChIKey of 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine?
The InChIKey is QBMOOJQMJDIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-13-8-15(11-18-10-13)19-14-6-7-20-16(9-14)12-4-2-1-3-5-12/h1-5,8,10-11,14,16,19H,6-7,9H2.
What are the key properties of 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine?
5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine has a molecular weight of 333.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 133474083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).