3-(bromomethyl)morpholine

C5H10BrNO — CID 70577689

IUPAC3-(bromomethyl)morpholine
SMILESBrCC1COCCN1
InChIInChI=1S/C5H10BrNO/c6-3-5-4-8-2-1-7-5/h5,7H,1-4H2
InChIKeyNBJWPNFWLLYPDT-UHFFFAOYSA-N
MW180.04 g/mol
LogP0.37
Rot. Bonds1

About 3-(bromomethyl)morpholine

3-(bromomethyl)morpholine (PubChem CID 70577689) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is 3-(bromomethyl)morpholine.

Molecular Properties

Compound Name3-(bromomethyl)morpholine
PubChem CID70577689
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Name3-(bromomethyl)morpholine
SMILESBrCC1COCCN1
InChIInChI=1S/C5H10BrNO/c6-3-5-4-8-2-1-7-5/h5,7H,1-4H2
InChIKeyNBJWPNFWLLYPDT-UHFFFAOYSA-N
XLogP0.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
2-[(3R)-morpholin-3-yl]acetonitrile
CID 68848037
3-(2-methylpropyl)morpholine
CID 20811826
3-prop-2-enyl-(313C)1,4-oxazinane
CID 173137376
morpholin-3-ylmethylurea
CID 103548775
(3R)-3-(cyclohexylmethyl)morpholine
CID 132580034
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
3-(ethylsulfonylmethyl)morpholine
CID 84720172
3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160
3-(2-cyclopentylethyl)morpholine
CID 116928258
ethane;(morpholin-3-ylmethylamino)methanone;yttrium
CID 153398938

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)morpholine?
The IUPAC name of 3-(bromomethyl)morpholine (CID 70577689) is 3-(bromomethyl)morpholine.
What is the SMILES notation for 3-(bromomethyl)morpholine?
The canonical SMILES for 3-(bromomethyl)morpholine is BrCC1COCCN1.
What is the InChIKey of 3-(bromomethyl)morpholine?
The InChIKey is NBJWPNFWLLYPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO/c6-3-5-4-8-2-1-7-5/h5,7H,1-4H2.
What are the key properties of 3-(bromomethyl)morpholine?
3-(bromomethyl)morpholine has a molecular weight of 180.04 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)morpholine is sourced from PubChem (CID 70577689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).