2-(3-chlorophenyl)-4-propylmorpholine

C13H18ClNO — CID 15006484

IUPAC2-(3-chlorophenyl)-4-propylmorpholine
SMILESCCCN1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO/c1-2-6-15-7-8-16-13(10-15)11-4-3-5-12(14)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyBHSWGNCHNWRXBG-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.12
Rot. Bonds3

About 2-(3-chlorophenyl)-4-propylmorpholine

2-(3-chlorophenyl)-4-propylmorpholine (PubChem CID 15006484) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-propylmorpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-propylmorpholine
PubChem CID15006484
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-4-propylmorpholine
SMILESCCCN1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO/c1-2-6-15-7-8-16-13(10-15)11-4-3-5-12(14)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyBHSWGNCHNWRXBG-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-propylmorpholine?
The IUPAC name of 2-(3-chlorophenyl)-4-propylmorpholine (CID 15006484) is 2-(3-chlorophenyl)-4-propylmorpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-propylmorpholine?
The canonical SMILES for 2-(3-chlorophenyl)-4-propylmorpholine is CCCN1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-propylmorpholine?
The InChIKey is BHSWGNCHNWRXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-6-15-7-8-16-13(10-15)11-4-3-5-12(14)9-11/h3-5,9,13H,2,6-8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-propylmorpholine?
2-(3-chlorophenyl)-4-propylmorpholine has a molecular weight of 239.75 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-propylmorpholine is sourced from PubChem (CID 15006484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).