4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine

C22H22BrNO — CID 123182155

IUPAC4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESBrc1ccccc1C=C1C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H22BrNO/c23-22-8-4-1-5-18(22)16-19-15-17(20-6-2-3-7-21(19)20)9-10-24-11-13-25-14-12-24/h1-8,15-16H,9-14H2
InChIKeyUVTSTWULNAZVGH-UHFFFAOYSA-N
MW396.33 g/mol
LogP5.11
Rot. Bonds4

About 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine

4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 123182155) has the molecular formula C22H22BrNO and a molecular weight of 396.33 g/mol. Its IUPAC name is 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID123182155
Molecular FormulaC22H22BrNO
Molecular Weight396.33 g/mol
Exact Mass395.09
IUPAC Name4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESBrc1ccccc1C=C1C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H22BrNO/c23-22-8-4-1-5-18(22)16-19-15-17(20-6-2-3-7-21(19)20)9-10-24-11-13-25-14-12-24/h1-8,15-16H,9-14H2
InChIKeyUVTSTWULNAZVGH-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine (CID 123182155) is 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine is Brc1ccccc1C=C1C=C(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is UVTSTWULNAZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO/c23-22-8-4-1-5-18(22)16-19-15-17(20-6-2-3-7-21(19)20)9-10-24-11-13-25-14-12-24/h1-8,15-16H,9-14H2.
What are the key properties of 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 396.33 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 123182155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).