3-(3,5-dibromophenyl)morpholine

C10H11Br2NO — CID 126971173

IUPAC3-(3,5-dibromophenyl)morpholine
SMILESBrc1cc(Br)cc(C2COCCN2)c1
InChIInChI=1S/C10H11Br2NO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2
InChIKeyBDIYMXACWSJAOQ-UHFFFAOYSA-N
MW321.01 g/mol
LogP2.87
Rot. Bonds1

About 3-(3,5-dibromophenyl)morpholine

3-(3,5-dibromophenyl)morpholine (PubChem CID 126971173) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)morpholine.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)morpholine
PubChem CID126971173
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name3-(3,5-dibromophenyl)morpholine
SMILESBrc1cc(Br)cc(C2COCCN2)c1
InChIInChI=1S/C10H11Br2NO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2
InChIKeyBDIYMXACWSJAOQ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-bromo-5-fluorophenyl)morpholine
CID 130605575
(3S)-3-(3-bromo-5-chlorophenyl)morpholine
CID 130626016
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
CID 171193208
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
3-(3,5-difluorophenyl)morpholine
CID 55271784
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
3-(6-bromonaphthalen-2-yl)morpholine
CID 175413265
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3R)-3-(3,5-difluorophenyl)morpholine;hydrochloride
CID 171192618
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromophenyl)morpholine?
The IUPAC name of 3-(3,5-dibromophenyl)morpholine (CID 126971173) is 3-(3,5-dibromophenyl)morpholine.
What is the SMILES notation for 3-(3,5-dibromophenyl)morpholine?
The canonical SMILES for 3-(3,5-dibromophenyl)morpholine is Brc1cc(Br)cc(C2COCCN2)c1.
What is the InChIKey of 3-(3,5-dibromophenyl)morpholine?
The InChIKey is BDIYMXACWSJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2.
What are the key properties of 3-(3,5-dibromophenyl)morpholine?
3-(3,5-dibromophenyl)morpholine has a molecular weight of 321.01 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)morpholine is sourced from PubChem (CID 126971173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).