2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine

C13H24BrNO2 — CID 81209803

IUPAC2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
SMILESCC1COC(CBr)CN1CCCC1CCCO1
InChIInChI=1S/C13H24BrNO2/c1-11-10-17-13(8-14)9-15(11)6-2-4-12-5-3-7-16-12/h11-13H,2-10H2,1H3
InChIKeyBLENOUOVGUQJMG-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.43
Rot. Bonds5

About 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine

2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine (PubChem CID 81209803) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
PubChem CID81209803
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC Name2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
SMILESCC1COC(CBr)CN1CCCC1CCCO1
InChIInChI=1S/C13H24BrNO2/c1-11-10-17-13(8-14)9-15(11)6-2-4-12-5-3-7-16-12/h11-13H,2-10H2,1H3
InChIKeyBLENOUOVGUQJMG-UHFFFAOYSA-N
XLogP2.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.43
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)-4-heptyl-5-methylmorpholine
CID 81209581
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine
CID 81210623
2-(3-bromopropyl)oxolane
CID 15783712
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
N-methyl-1-[4-[3-(oxolan-2-yl)propyl]morpholin-3-yl]methanamine
CID 83099650
2-(bromomethyl)-4-cycloheptyl-5-methylmorpholine
CID 82936148
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid
CID 114426342
1-[1-[3-(oxolan-2-yl)propyl]piperidin-2-yl]ethanamine
CID 65159449

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine (CID 81209803) is 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine is CC1COC(CBr)CN1CCCC1CCCO1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
The InChIKey is BLENOUOVGUQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-11-10-17-13(8-14)9-15(11)6-2-4-12-5-3-7-16-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine?
2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine has a molecular weight of 306.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine is sourced from PubChem (CID 81209803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).