4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine

C18H28BrNO3 — CID 3063963

IUPAC4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine
SMILESCCCCCOc1ccc(Br)cc1COCCN1CCOCC1
InChIInChI=1S/C18H28BrNO3/c1-2-3-4-10-23-18-6-5-17(19)14-16(18)15-22-13-9-20-7-11-21-12-8-20/h5-6,14H,2-4,7-13,15H2,1H3
InChIKeyDVJPPCNBAWWWKJ-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.87
Rot. Bonds10

About 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine

4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine (PubChem CID 3063963) has the molecular formula C18H28BrNO3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine
PubChem CID3063963
Molecular FormulaC18H28BrNO3
Molecular Weight386.33 g/mol
Exact Mass385.13
IUPAC Name4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine
SMILESCCCCCOc1ccc(Br)cc1COCCN1CCOCC1
InChIInChI=1S/C18H28BrNO3/c1-2-3-4-10-23-18-6-5-17(19)14-16(18)15-22-13-9-20-7-11-21-12-8-20/h5-6,14H,2-4,7-13,15H2,1H3
InChIKeyDVJPPCNBAWWWKJ-UHFFFAOYSA-N
XLogP3.87
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]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-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine (CID 3063963) is 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine is CCCCCOc1ccc(Br)cc1COCCN1CCOCC1.
What is the InChIKey of 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine?
The InChIKey is DVJPPCNBAWWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO3/c1-2-3-4-10-23-18-6-5-17(19)14-16(18)15-22-13-9-20-7-11-21-12-8-20/h5-6,14H,2-4,7-13,15H2,1H3.
What are the key properties of 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine?
4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine has a molecular weight of 386.33 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine is sourced from PubChem (CID 3063963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).