4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine

C17H17BrClNO — CID 171934639

IUPAC4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine
SMILESClc1c(Br)cccc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H17BrClNO/c18-16-3-1-2-15(17(16)19)14-6-4-13(5-7-14)12-20-8-10-21-11-9-20/h1-7H,8-12H2
InChIKeyBUWWERIWDTYSMI-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.60
Rot. Bonds3

About 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine

4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine (PubChem CID 171934639) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine
PubChem CID171934639
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine
SMILESClc1c(Br)cccc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H17BrClNO/c18-16-3-1-2-15(17(16)19)14-6-4-13(5-7-14)12-20-8-10-21-11-9-20/h1-7H,8-12H2
InChIKeyBUWWERIWDTYSMI-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]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-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine (CID 171934639) is 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine is Clc1c(Br)cccc1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine?
The InChIKey is BUWWERIWDTYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-16-3-1-2-15(17(16)19)14-6-4-13(5-7-14)12-20-8-10-21-11-9-20/h1-7H,8-12H2.
What are the key properties of 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine?
4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine has a molecular weight of 366.69 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]morpholine is sourced from PubChem (CID 171934639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).