4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine

C13H18BrNO — CID 170919244

IUPAC4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
SMILESCc1cc(CN2CCOCC2)cc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-10-7-12(8-11(2)13(10)14)9-15-3-5-16-6-4-15/h7-8H,3-6,9H2,1-2H3
InChIKeyXDYAGITWTFUWQF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.90
Rot. Bonds2

About 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine

4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine (PubChem CID 170919244) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
PubChem CID170919244
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
SMILESCc1cc(CN2CCOCC2)cc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-10-7-12(8-11(2)13(10)14)9-15-3-5-16-6-4-15/h7-8H,3-6,9H2,1-2H3
InChIKeyXDYAGITWTFUWQF-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
2-tert-butyl-4-[[13-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-6-methylphenol
CID 11028199
2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
CID 122631498
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
CID 154879948
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
CID 21060369
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine (CID 170919244) is 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine is Cc1cc(CN2CCOCC2)cc(C)c1Br.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine?
The InChIKey is XDYAGITWTFUWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-7-12(8-11(2)13(10)14)9-15-3-5-16-6-4-15/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine?
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine has a molecular weight of 284.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine is sourced from PubChem (CID 170919244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).