[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone

C16H20BrNO2 — CID 102937638

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
SMILESCC1CN(C(=O)C2(c3ccccc3)CC2)CC(CBr)O1
InChIInChI=1S/C16H20BrNO2/c1-12-10-18(11-14(9-17)20-12)15(19)16(7-8-16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyVKZCLAZCNBTOEI-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.73
Rot. Bonds3

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 102937638) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
PubChem CID102937638
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
SMILESCC1CN(C(=O)C2(c3ccccc3)CC2)CC(CBr)O1
InChIInChI=1S/C16H20BrNO2/c1-12-10-18(11-14(9-17)20-12)15(19)16(7-8-16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyVKZCLAZCNBTOEI-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.73
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

ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 102937724
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
N-[(3S,4R)-4-(hydroxymethyl)-1-(1-phenylcyclopropanecarbonyl)pyrrolidin-3-yl]acetamide
CID 110202588
(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78832224
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 102937987
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone (CID 102937638) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone is CC1CN(C(=O)C2(c3ccccc3)CC2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is VKZCLAZCNBTOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-12-10-18(11-14(9-17)20-12)15(19)16(7-8-16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 338.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 102937638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).