2-(4-bromophenyl)morpholine

C10H12BrNO — CID 14425822

IUPAC2-(4-bromophenyl)morpholine
SMILESBrc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
InChIKeyIWMSBXAXPYFDAE-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.11
Rot. Bonds1

About 2-(4-bromophenyl)morpholine

2-(4-bromophenyl)morpholine (PubChem CID 14425822) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)morpholine
PubChem CID14425822
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(4-bromophenyl)morpholine
SMILESBrc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
InChIKeyIWMSBXAXPYFDAE-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)morpholine?
The IUPAC name of 2-(4-bromophenyl)morpholine (CID 14425822) is 2-(4-bromophenyl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)morpholine is Brc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)morpholine?
The InChIKey is IWMSBXAXPYFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2.
What are the key properties of 2-(4-bromophenyl)morpholine?
2-(4-bromophenyl)morpholine has a molecular weight of 242.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)morpholine is sourced from PubChem (CID 14425822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).