4-(3-bromopropyl)morpholine

C7H14BrNO — CID 13034048

IUPAC4-(3-bromopropyl)morpholine
SMILESBrCCCN1CCOCC1
InChIInChI=1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKeyAFUWTOMPIDVMSJ-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.10
Rot. Bonds3

About 4-(3-bromopropyl)morpholine

4-(3-bromopropyl)morpholine (PubChem CID 13034048) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 4-(3-bromopropyl)morpholine.

Molecular Properties

Compound Name4-(3-bromopropyl)morpholine
PubChem CID13034048
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name4-(3-bromopropyl)morpholine
SMILESBrCCCN1CCOCC1
InChIInChI=1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKeyAFUWTOMPIDVMSJ-UHFFFAOYSA-N
XLogP1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.10
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-(2-bromoethyl)morpholine;hydron;chloride
CID 137370689
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
1-(3-bromopropyl)pyrrolidine
CID 13034044
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
butane;4-butylmorpholine
CID 177152600
ethane;4-propylmorpholine
CID 143004992
9-morpholin-4-ylnonan-1-ol
CID 58205558
4-hexylmorpholine
CID 3614751
20-morpholin-4-ylicosan-1-ol
CID 58205553
7-morpholin-4-ylheptan-1-amine
CID 28596900
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)morpholine?
The IUPAC name of 4-(3-bromopropyl)morpholine (CID 13034048) is 4-(3-bromopropyl)morpholine.
What is the SMILES notation for 4-(3-bromopropyl)morpholine?
The canonical SMILES for 4-(3-bromopropyl)morpholine is BrCCCN1CCOCC1.
What is the InChIKey of 4-(3-bromopropyl)morpholine?
The InChIKey is AFUWTOMPIDVMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2.
What are the key properties of 4-(3-bromopropyl)morpholine?
4-(3-bromopropyl)morpholine has a molecular weight of 208.10 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)morpholine is sourced from PubChem (CID 13034048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).