4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine

C13H18BrNO — CID 107081198

IUPAC4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1ccccc1CBr
InChIInChI=1S/C13H18BrNO/c1-13(2)10-16-8-7-15(13)12-6-4-3-5-11(12)9-14/h3-6H,7-10H2,1-2H3
InChIKeyRITDFTVCFJUREP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.20
Rot. Bonds2

About 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine

4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine (PubChem CID 107081198) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine
PubChem CID107081198
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1ccccc1CBr
InChIInChI=1S/C13H18BrNO/c1-13(2)10-16-8-7-15(13)12-6-4-3-5-11(12)9-14/h3-6H,7-10H2,1-2H3
InChIKeyRITDFTVCFJUREP-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(bromomethyl)-4-fluorophenyl]-3,3-dimethylmorpholine
CID 107081189
1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 61432642
2-(3,3-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 61430602
4-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-3,3-dimethylmorpholine
CID 107081202
[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 61433103
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 55191185
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607
2-[(3,3-dimethylmorpholin-4-yl)methyl]aniline
CID 61428614
4-(3-bromo-4-pyridinyl)-3,3-dimethylmorpholine
CID 104778190
4-(3-bromo-2-phenylpropyl)-3,3-dimethylmorpholine
CID 65016564
5-bromo-2-(3,3-dimethylmorpholin-4-yl)benzoic acid
CID 114895703
4-[4-(chloromethyl)phenyl]-3,3-dimethylmorpholine
CID 61432795

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine (CID 107081198) is 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine is CC1(C)COCCN1c1ccccc1CBr.
What is the InChIKey of 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine?
The InChIKey is RITDFTVCFJUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(2)10-16-8-7-15(13)12-6-4-3-5-11(12)9-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine?
4-[2-(bromomethyl)phenyl]-3,3-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-[2-(bromomethyl)phenyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 107081198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).