2,3-dibenzyl-2-bromomorpholine

C18H20BrNO — CID 175575525

IUPAC2,3-dibenzyl-2-bromomorpholine
SMILESBrC1(Cc2ccccc2)OCCNC1Cc1ccccc1
InChIInChI=1S/C18H20BrNO/c19-18(14-16-9-5-2-6-10-16)17(20-11-12-21-18)13-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2
InChIKeyGTAPWLMIAYMNIO-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.55
Rot. Bonds4

About 2,3-dibenzyl-2-bromomorpholine

2,3-dibenzyl-2-bromomorpholine (PubChem CID 175575525) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2,3-dibenzyl-2-bromomorpholine.

Molecular Properties

Compound Name2,3-dibenzyl-2-bromomorpholine
PubChem CID175575525
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2,3-dibenzyl-2-bromomorpholine
SMILESBrC1(Cc2ccccc2)OCCNC1Cc1ccccc1
InChIInChI=1S/C18H20BrNO/c19-18(14-16-9-5-2-6-10-16)17(20-11-12-21-18)13-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2
InChIKeyGTAPWLMIAYMNIO-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
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[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
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CID 125475476
[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-2-bromomorpholine?
The IUPAC name of 2,3-dibenzyl-2-bromomorpholine (CID 175575525) is 2,3-dibenzyl-2-bromomorpholine.
What is the SMILES notation for 2,3-dibenzyl-2-bromomorpholine?
The canonical SMILES for 2,3-dibenzyl-2-bromomorpholine is BrC1(Cc2ccccc2)OCCNC1Cc1ccccc1.
What is the InChIKey of 2,3-dibenzyl-2-bromomorpholine?
The InChIKey is GTAPWLMIAYMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-18(14-16-9-5-2-6-10-16)17(20-11-12-21-18)13-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2.
What are the key properties of 2,3-dibenzyl-2-bromomorpholine?
2,3-dibenzyl-2-bromomorpholine has a molecular weight of 346.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-2-bromomorpholine is sourced from PubChem (CID 175575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).