4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride

C16H26ClNO2 — CID 3079943

IUPAC4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride
SMILESCCCCN1CCOC(OCC)(c2ccccc2)C1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-3-5-11-17-12-13-19-16(14-17,18-4-2)15-9-7-6-8-10-15;/h6-10H,3-5,11-14H2,1-2H3;1H
InChIKeyLRVFEKWOSKNRAU-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.43
Rot. Bonds6

About 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride

4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride (PubChem CID 3079943) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride
PubChem CID3079943
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride
SMILESCCCCN1CCOC(OCC)(c2ccccc2)C1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-3-5-11-17-12-13-19-16(14-17,18-4-2)15-9-7-6-8-10-15;/h6-10H,3-5,11-14H2,1-2H3;1H
InChIKeyLRVFEKWOSKNRAU-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-butyl-2-ethoxy-2-phenylmorpholine;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-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride?
The IUPAC name of 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride (CID 3079943) is 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride.
What is the SMILES notation for 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride?
The canonical SMILES for 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride is CCCCN1CCOC(OCC)(c2ccccc2)C1.Cl.
What is the InChIKey of 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride?
The InChIKey is LRVFEKWOSKNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-3-5-11-17-12-13-19-16(14-17,18-4-2)15-9-7-6-8-10-15;/h6-10H,3-5,11-14H2,1-2H3;1H.
What are the key properties of 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride?
4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethoxy-2-phenylmorpholine;hydrochloride is sourced from PubChem (CID 3079943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).