4-(2-chloropropyl)morpholine

C7H14ClNO — CID 15104445

IUPAC4-(2-chloropropyl)morpholine
SMILESCC(Cl)CN1CCOCC1
InChIInChI=1S/C7H14ClNO/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6H2,1H3
InChIKeyDRWDYJVXXHLJLZ-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds2

About 4-(2-chloropropyl)morpholine

4-(2-chloropropyl)morpholine (PubChem CID 15104445) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 4-(2-chloropropyl)morpholine.

Molecular Properties

Compound Name4-(2-chloropropyl)morpholine
PubChem CID15104445
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name4-(2-chloropropyl)morpholine
SMILESCC(Cl)CN1CCOCC1
InChIInChI=1S/C7H14ClNO/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6H2,1H3
InChIKeyDRWDYJVXXHLJLZ-UHFFFAOYSA-N
XLogP0.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.95
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

CID 77210
CID 77210
CID 76727
CID 76727
CID 95834
CID 95834
CID 12296283
CID 12296283
CID 116304
CID 116304
CID 3039553
CID 3039553
CID 47003107
CID 47003107
CID 71758071
CID 71758071
CID 22342921
CID 22342921
CID 47003108
CID 47003108
CID 51673805
CID 51673805
CID 57346428
CID 57346428

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropyl)morpholine?
The IUPAC name of 4-(2-chloropropyl)morpholine (CID 15104445) is 4-(2-chloropropyl)morpholine.
What is the SMILES notation for 4-(2-chloropropyl)morpholine?
The canonical SMILES for 4-(2-chloropropyl)morpholine is CC(Cl)CN1CCOCC1.
What is the InChIKey of 4-(2-chloropropyl)morpholine?
The InChIKey is DRWDYJVXXHLJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6H2,1H3.
What are the key properties of 4-(2-chloropropyl)morpholine?
4-(2-chloropropyl)morpholine has a molecular weight of 163.65 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropyl)morpholine is sourced from PubChem (CID 15104445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).