4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine

C13H17BrClNO — CID 102936655

IUPAC4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
SMILESCC1CN(Cc2ccc(Br)cc2)CC(CCl)O1
InChIInChI=1S/C13H17BrClNO/c1-10-7-16(9-13(6-15)17-10)8-11-2-4-12(14)5-3-11/h2-5,10,13H,6-9H2,1H3
InChIKeyFTISRFXVPFPKHU-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.28
Rot. Bonds3

About 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine

4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine (PubChem CID 102936655) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
PubChem CID102936655
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
SMILESCC1CN(Cc2ccc(Br)cc2)CC(CCl)O1
InChIInChI=1S/C13H17BrClNO/c1-10-7-16(9-13(6-15)17-10)8-11-2-4-12(14)5-3-11/h2-5,10,13H,6-9H2,1H3
InChIKeyFTISRFXVPFPKHU-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936661
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
CID 102936812
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 102936816
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
2-(bromomethyl)-4-[(5-bromo-2-pyridinyl)methyl]-6-methylmorpholine
CID 102936799
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine (CID 102936655) is 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine is CC1CN(Cc2ccc(Br)cc2)CC(CCl)O1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine?
The InChIKey is FTISRFXVPFPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-10-7-16(9-13(6-15)17-10)8-11-2-4-12(14)5-3-11/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine?
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine has a molecular weight of 318.64 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine is sourced from PubChem (CID 102936655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).