4-(3-bromophenyl)morpholine

C10H12BrNO — CID 4961268

IUPAC4-(3-bromophenyl)morpholine
SMILESBrc1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H12BrNO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKeyRQMIVKDXRGZOBQ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.29
Rot. Bonds1

About 4-(3-bromophenyl)morpholine

4-(3-bromophenyl)morpholine (PubChem CID 4961268) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-(3-bromophenyl)morpholine.

Molecular Properties

Compound Name4-(3-bromophenyl)morpholine
PubChem CID4961268
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-(3-bromophenyl)morpholine
SMILESBrc1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H12BrNO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKeyRQMIVKDXRGZOBQ-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)morpholine?
The IUPAC name of 4-(3-bromophenyl)morpholine (CID 4961268) is 4-(3-bromophenyl)morpholine.
What is the SMILES notation for 4-(3-bromophenyl)morpholine?
The canonical SMILES for 4-(3-bromophenyl)morpholine is Brc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-bromophenyl)morpholine?
The InChIKey is RQMIVKDXRGZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2.
What are the key properties of 4-(3-bromophenyl)morpholine?
4-(3-bromophenyl)morpholine has a molecular weight of 242.12 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)morpholine is sourced from PubChem (CID 4961268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).