[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone

C14H19BrN2O2 — CID 81211880

IUPAC[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCOC(CBr)C2)cc1
InChIInChI=1S/C14H19BrN2O2/c1-16(2)12-5-3-11(4-6-12)14(18)17-7-8-19-13(9-15)10-17/h3-6,13H,7-10H2,1-2H3
InChIKeyWCWVZBXCFXUBQD-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.99
Rot. Bonds3

About [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone

[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 81211880) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID81211880
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCOC(CBr)C2)cc1
InChIInChI=1S/C14H19BrN2O2/c1-16(2)12-5-3-11(4-6-12)14(18)17-7-8-19-13(9-15)10-17/h3-6,13H,7-10H2,1-2H3
InChIKeyWCWVZBXCFXUBQD-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[2-(bromomethyl)morpholin-4-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81210605
[2-(bromomethyl)morpholin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 116629329
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone (CID 81211880) is [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)N2CCOC(CBr)C2)cc1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is WCWVZBXCFXUBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16(2)12-5-3-11(4-6-12)14(18)17-7-8-19-13(9-15)10-17/h3-6,13H,7-10H2,1-2H3.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone?
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 327.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 81211880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).