4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine

C10H13Br2NO2 — CID 131047863

IUPAC4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
SMILESBrCC1CN(Cc2ccc(Br)o2)CCO1
InChIInChI=1S/C10H13Br2NO2/c11-5-9-7-13(3-4-14-9)6-8-1-2-10(12)15-8/h1-2,9H,3-7H2
InChIKeyBNBUXBNRRDZGQK-UHFFFAOYSA-N
MW339.03 g/mol
LogP2.64
Rot. Bonds3

About 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine

4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine (PubChem CID 131047863) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
PubChem CID131047863
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
SMILESBrCC1CN(Cc2ccc(Br)o2)CCO1
InChIInChI=1S/C10H13Br2NO2/c11-5-9-7-13(3-4-14-9)6-8-1-2-10(12)15-8/h1-2,9H,3-7H2
InChIKeyBNBUXBNRRDZGQK-UHFFFAOYSA-N
XLogP2.64
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 52.64
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

(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine
CID 100615019
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018
4-[(5-bromofuran-2-yl)methyl]-6-methyl-1,4-oxazepane
CID 131213802
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
CID 81213537
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine?
The IUPAC name of 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine (CID 131047863) is 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine is BrCC1CN(Cc2ccc(Br)o2)CCO1.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine?
The InChIKey is BNBUXBNRRDZGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c11-5-9-7-13(3-4-14-9)6-8-1-2-10(12)15-8/h1-2,9H,3-7H2.
What are the key properties of 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine?
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine has a molecular weight of 339.03 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine is sourced from PubChem (CID 131047863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).