2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine

C11H22BrNO3 — CID 103413126

IUPAC2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
SMILESCOCCOCCCN1CCOC(CBr)C1
InChIInChI=1S/C11H22BrNO3/c1-14-7-8-15-5-2-3-13-4-6-16-11(9-12)10-13/h11H,2-10H2,1H3
InChIKeyXSNPYFRVLOYBOY-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.14
Rot. Bonds8

About 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine

2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine (PubChem CID 103413126) has the molecular formula C11H22BrNO3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
PubChem CID103413126
Molecular FormulaC11H22BrNO3
Molecular Weight296.20 g/mol
Exact Mass295.08
IUPAC Name2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
SMILESCOCCOCCCN1CCOC(CBr)C1
InChIInChI=1S/C11H22BrNO3/c1-14-7-8-15-5-2-3-13-4-6-16-11(9-12)10-13/h11H,2-10H2,1H3
InChIKeyXSNPYFRVLOYBOY-UHFFFAOYSA-N
XLogP1.14
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
4-[2-(2-methoxyethoxy)ethyl]morpholine-2-carbonitrile
CID 79675052
ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
CID 154661350
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-butyl-2-(propoxymethyl)morpholine;ethane
CID 169214166
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine?
The IUPAC name of 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine (CID 103413126) is 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine is COCCOCCCN1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine?
The InChIKey is XSNPYFRVLOYBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3/c1-14-7-8-15-5-2-3-13-4-6-16-11(9-12)10-13/h11H,2-10H2,1H3.
What are the key properties of 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine?
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine has a molecular weight of 296.20 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine is sourced from PubChem (CID 103413126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).