2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine

C14H15BrN2O — CID 83132841

IUPAC2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
SMILESCc1cc(OC(CN)c2ccccn2)ccc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-8-11(5-6-12(10)15)18-14(9-16)13-4-2-3-7-17-13/h2-8,14H,9,16H2,1H3
InChIKeyITTKBDRPXMNVBE-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine

2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine (PubChem CID 83132841) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
PubChem CID83132841
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
SMILESCc1cc(OC(CN)c2ccccn2)ccc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-8-11(5-6-12(10)15)18-14(9-16)13-4-2-3-7-17-13/h2-8,14H,9,16H2,1H3
InChIKeyITTKBDRPXMNVBE-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine (CID 83132841) is 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine is Cc1cc(OC(CN)c2ccccn2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine?
The InChIKey is ITTKBDRPXMNVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-8-11(5-6-12(10)15)18-14(9-16)13-4-2-3-7-17-13/h2-8,14H,9,16H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine?
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 83132841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).