4-[4-(2-chlorophenoxy)butyl]morpholine

C14H20ClNO2 — CID 2057893

IUPAC4-[4-(2-chlorophenoxy)butyl]morpholine
SMILESClc1ccccc1OCCCCN1CCOCC1
InChIInChI=1S/C14H20ClNO2/c15-13-5-1-2-6-14(13)18-10-4-3-7-16-8-11-17-12-9-16/h1-2,5-6H,3-4,7-12H2
InChIKeyDAPUFHFSUBJAEX-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.83
Rot. Bonds6

About 4-[4-(2-chlorophenoxy)butyl]morpholine

4-[4-(2-chlorophenoxy)butyl]morpholine (PubChem CID 2057893) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[4-(2-chlorophenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chlorophenoxy)butyl]morpholine
PubChem CID2057893
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[4-(2-chlorophenoxy)butyl]morpholine
SMILESClc1ccccc1OCCCCN1CCOCC1
InChIInChI=1S/C14H20ClNO2/c15-13-5-1-2-6-14(13)18-10-4-3-7-16-8-11-17-12-9-16/h1-2,5-6H,3-4,7-12H2
InChIKeyDAPUFHFSUBJAEX-UHFFFAOYSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(2-chlorophenoxy)butyl]morpholine (CID 2057893) is 4-[4-(2-chlorophenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(2-chlorophenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(2-chlorophenoxy)butyl]morpholine is Clc1ccccc1OCCCCN1CCOCC1.
What is the InChIKey of 4-[4-(2-chlorophenoxy)butyl]morpholine?
The InChIKey is DAPUFHFSUBJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-13-5-1-2-6-14(13)18-10-4-3-7-16-8-11-17-12-9-16/h1-2,5-6H,3-4,7-12H2.
What are the key properties of 4-[4-(2-chlorophenoxy)butyl]morpholine?
4-[4-(2-chlorophenoxy)butyl]morpholine has a molecular weight of 269.77 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenoxy)butyl]morpholine is sourced from PubChem (CID 2057893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).