4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride

C14H21Cl2NO — CID 3057363

IUPAC4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride
SMILESCCCC(c1ccc(Cl)cc1)N1CCOCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12;/h4-7,14H,2-3,8-11H2,1H3;1H
InChIKeySEUCFKDKFDESJG-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.94
Rot. Bonds4

About 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride

4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride (PubChem CID 3057363) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride
PubChem CID3057363
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride
SMILESCCCC(c1ccc(Cl)cc1)N1CCOCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12;/h4-7,14H,2-3,8-11H2,1H3;1H
InChIKeySEUCFKDKFDESJG-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride?
The IUPAC name of 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride (CID 3057363) is 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride is CCCC(c1ccc(Cl)cc1)N1CCOCC1.Cl.
What is the InChIKey of 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride?
The InChIKey is SEUCFKDKFDESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12;/h4-7,14H,2-3,8-11H2,1H3;1H.
What are the key properties of 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride?
4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)butyl]morpholine;hydrochloride is sourced from PubChem (CID 3057363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).