4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine

C25H29BrN2O2 — CID 11554565

IUPAC4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C25H29BrN2O2/c26-19-7-10-24-23(17-19)22-4-1-3-21(25(22)27-24)18-5-8-20(9-6-18)30-14-2-11-28-12-15-29-16-13-28/h5-10,17,21,27H,1-4,11-16H2
InChIKeyIRSPHDYVLAZXIZ-UHFFFAOYSA-N
MW469.42 g/mol
LogP5.50
Rot. Bonds6

About 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine

4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine (PubChem CID 11554565) has the molecular formula C25H29BrN2O2 and a molecular weight of 469.42 g/mol. Its IUPAC name is 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine
PubChem CID11554565
Molecular FormulaC25H29BrN2O2
Molecular Weight469.42 g/mol
Exact Mass468.14
IUPAC Name4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C25H29BrN2O2/c26-19-7-10-24-23(17-19)22-4-1-3-21(25(22)27-24)18-5-8-20(9-6-18)30-14-2-11-28-12-15-29-16-13-28/h5-10,17,21,27H,1-4,11-16H2
InChIKeyIRSPHDYVLAZXIZ-UHFFFAOYSA-N
XLogP5.50
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine (CID 11554565) is 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine is Brc1ccc2[nH]c3c(c2c1)CCCC3c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine?
The InChIKey is IRSPHDYVLAZXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN2O2/c26-19-7-10-24-23(17-19)22-4-1-3-21(25(22)27-24)18-5-8-20(9-6-18)30-14-2-11-28-12-15-29-16-13-28/h5-10,17,21,27H,1-4,11-16H2.
What are the key properties of 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine?
4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine has a molecular weight of 469.42 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]propyl]morpholine is sourced from PubChem (CID 11554565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).