4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine

C18H20BrNO — CID 57068996

IUPAC4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine
SMILESBrc1ccc(Cc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C18H20BrNO/c19-18-7-5-15(6-8-18)13-16-3-1-2-4-17(16)14-20-9-11-21-12-10-20/h1-8H,9-14H2
InChIKeyWBGDLJIOXCOAAD-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.87
Rot. Bonds4

About 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine

4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine (PubChem CID 57068996) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine
PubChem CID57068996
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine
SMILESBrc1ccc(Cc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C18H20BrNO/c19-18-7-5-15(6-8-18)13-16-3-1-2-4-17(16)14-20-9-11-21-12-10-20/h1-8H,9-14H2
InChIKeyWBGDLJIOXCOAAD-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Bromobenzyl)morpholine
CID 783082
4-[2-[(3E)-3-[(2-bromophenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332423
4-(4-Bromobenzyl)morpholine
CID 783503
4-(2-Bromobenzyl)morpholine
CID 2845477
(4-Bromophenyl)(morpholino)methanethione
CID 812266
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
4-(Biphenyl-4-ylmethyl)morpholine
CID 782503
4-(4-Bromophenethyl)morpholine
CID 12177801
4-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)morpholine;hydrochloride
CID 178313013
4-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)morpholine;hydrochloride
CID 178313871
1-[1-(4-Bromophenyl)cyclohexyl]piperidine
CID 12673464
4-(1-(4-Bromobenzyl)piperidin-4-yl)morpholine
CID 806418

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine (CID 57068996) is 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine is Brc1ccc(Cc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine?
The InChIKey is WBGDLJIOXCOAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-18-7-5-15(6-8-18)13-16-3-1-2-4-17(16)14-20-9-11-21-12-10-20/h1-8H,9-14H2.
What are the key properties of 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine?
4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine has a molecular weight of 346.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-bromophenyl)methyl]phenyl]methyl]morpholine is sourced from PubChem (CID 57068996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).