4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine

C13H18BrNO — CID 107080567

IUPAC4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ccc(CBr)cc2)CCO1
InChIInChI=1S/C13H18BrNO/c1-13(2)10-15(7-8-16-13)12-5-3-11(9-14)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyHBLZBPRSIRALDU-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.20
Rot. Bonds2

About 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine

4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine (PubChem CID 107080567) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine
PubChem CID107080567
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ccc(CBr)cc2)CCO1
InChIInChI=1S/C13H18BrNO/c1-13(2)10-15(7-8-16-13)12-5-3-11(9-14)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyHBLZBPRSIRALDU-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-phenylmorpholine
CID 15576765
4-[3-(difluoromethyl)-4-methylphenyl]-2,2-dimethylmorpholine;ethane
CID 143922330
5-[4-(bromomethyl)phenyl]-5-azaspiro[2.4]heptane
CID 131123654
4-[4-(bromomethyl)phenyl]-1,4-oxazepane
CID 107082990
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
4-(2,2-dimethylmorpholin-4-yl)-2-methoxyaniline
CID 63669991
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)aniline
CID 43592530
4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile
CID 81282144
1-[4-(bromomethyl)phenyl]-4,4-dimethylazepane
CID 107084123
4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine (CID 107080567) is 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine is CC1(C)CN(c2ccc(CBr)cc2)CCO1.
What is the InChIKey of 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine?
The InChIKey is HBLZBPRSIRALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(2)10-15(7-8-16-13)12-5-3-11(9-14)4-6-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine?
4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine has a molecular weight of 284.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 107080567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).