4-(2-bromoethyl)morpholine;hydron;chloride

C6H13BrClNO — CID 137370689

IUPAC4-(2-bromoethyl)morpholine;hydron;chloride
SMILESBrCCN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C6H12BrNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
InChIKeyJLCGPSNHSULUGI-UHFFFAOYSA-N
MW230.53 g/mol
LogP-2.17
Rot. Bonds2

About 4-(2-bromoethyl)morpholine;hydron;chloride

4-(2-bromoethyl)morpholine;hydron;chloride (PubChem CID 137370689) has the molecular formula C6H13BrClNO and a molecular weight of 230.53 g/mol. Its IUPAC name is 4-(2-bromoethyl)morpholine;hydron;chloride.

Molecular Properties

Compound Name4-(2-bromoethyl)morpholine;hydron;chloride
PubChem CID137370689
Molecular FormulaC6H13BrClNO
Molecular Weight230.53 g/mol
Exact Mass228.99
IUPAC Name4-(2-bromoethyl)morpholine;hydron;chloride
SMILESBrCCN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C6H12BrNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
InChIKeyJLCGPSNHSULUGI-UHFFFAOYSA-N
XLogP-2.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.53
LogP ≤ 5-2.17
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

4-(3-bromopropyl)morpholine
CID 13034048
ethane;4-propylmorpholine
CID 143004992
4-[1-(2-bromoethyl)azetidin-3-yl]morpholine
CID 139323330
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
4-[2-[3-(2-bromoethyl)pyrrolidin-1-yl]ethyl]morpholine
CID 114800432
CID 59303713
CID 59303713
2-morpholin-4-ylethanethiol;sulfane
CID 143821925
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)morpholine;hydron;chloride?
The IUPAC name of 4-(2-bromoethyl)morpholine;hydron;chloride (CID 137370689) is 4-(2-bromoethyl)morpholine;hydron;chloride.
What is the SMILES notation for 4-(2-bromoethyl)morpholine;hydron;chloride?
The canonical SMILES for 4-(2-bromoethyl)morpholine;hydron;chloride is BrCCN1CCOCC1.[Cl-].[H+].
What is the InChIKey of 4-(2-bromoethyl)morpholine;hydron;chloride?
The InChIKey is JLCGPSNHSULUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H.
What are the key properties of 4-(2-bromoethyl)morpholine;hydron;chloride?
4-(2-bromoethyl)morpholine;hydron;chloride has a molecular weight of 230.53 g/mol, XLogP of -2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)morpholine;hydron;chloride is sourced from PubChem (CID 137370689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).