4-[(3-bromocarbazol-9-yl)methyl]morpholine

C17H17BrN2O — CID 23934226

IUPAC4-[(3-bromocarbazol-9-yl)methyl]morpholine
SMILESBrc1ccc2c(c1)c1ccccc1n2CN1CCOCC1
InChIInChI=1S/C17H17BrN2O/c18-13-5-6-17-15(11-13)14-3-1-2-4-16(14)20(17)12-19-7-9-21-10-8-19/h1-6,11H,7-10,12H2
InChIKeyJITDHQXTIQMTHS-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.85
Rot. Bonds2

About 4-[(3-bromocarbazol-9-yl)methyl]morpholine

4-[(3-bromocarbazol-9-yl)methyl]morpholine (PubChem CID 23934226) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 4-[(3-bromocarbazol-9-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-bromocarbazol-9-yl)methyl]morpholine
PubChem CID23934226
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name4-[(3-bromocarbazol-9-yl)methyl]morpholine
SMILESBrc1ccc2c(c1)c1ccccc1n2CN1CCOCC1
InChIInChI=1S/C17H17BrN2O/c18-13-5-6-17-15(11-13)14-3-1-2-4-16(14)20(17)12-19-7-9-21-10-8-19/h1-6,11H,7-10,12H2
InChIKeyJITDHQXTIQMTHS-UHFFFAOYSA-N
XLogP3.85
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromocarbazol-9-yl)methyl]morpholine?
The IUPAC name of 4-[(3-bromocarbazol-9-yl)methyl]morpholine (CID 23934226) is 4-[(3-bromocarbazol-9-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-bromocarbazol-9-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-bromocarbazol-9-yl)methyl]morpholine is Brc1ccc2c(c1)c1ccccc1n2CN1CCOCC1.
What is the InChIKey of 4-[(3-bromocarbazol-9-yl)methyl]morpholine?
The InChIKey is JITDHQXTIQMTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-13-5-6-17-15(11-13)14-3-1-2-4-16(14)20(17)12-19-7-9-21-10-8-19/h1-6,11H,7-10,12H2.
What are the key properties of 4-[(3-bromocarbazol-9-yl)methyl]morpholine?
4-[(3-bromocarbazol-9-yl)methyl]morpholine has a molecular weight of 345.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromocarbazol-9-yl)methyl]morpholine is sourced from PubChem (CID 23934226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).