3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine

C17H18BrNO — CID 79451771

IUPAC3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
SMILESBrc1ccc(OCCC2(c3ccccc3)CNC2)cc1
InChIInChI=1S/C17H18BrNO/c18-15-6-8-16(9-7-15)20-11-10-17(12-19-13-17)14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyYSNRPSFAYBSOGY-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.76
Rot. Bonds5

About 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine

3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine (PubChem CID 79451771) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine.

Molecular Properties

Compound Name3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
PubChem CID79451771
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
SMILESBrc1ccc(OCCC2(c3ccccc3)CNC2)cc1
InChIInChI=1S/C17H18BrNO/c18-15-6-8-16(9-7-15)20-11-10-17(12-19-13-17)14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKeyYSNRPSFAYBSOGY-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine?
The IUPAC name of 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine (CID 79451771) is 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine.
What is the SMILES notation for 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine?
The canonical SMILES for 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine is Brc1ccc(OCCC2(c3ccccc3)CNC2)cc1.
What is the InChIKey of 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine?
The InChIKey is YSNRPSFAYBSOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-15-6-8-16(9-7-15)20-11-10-17(12-19-13-17)14-4-2-1-3-5-14/h1-9,19H,10-13H2.
What are the key properties of 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine?
3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine has a molecular weight of 332.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine is sourced from PubChem (CID 79451771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).