2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride

C17H24Cl2N2O4 — CID 3075560

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C17H23ClN2O4.ClH/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20;/h1-4,16H,5-13H2;1H
InChIKeyUILYOKMBTKKAFK-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.60
Rot. Bonds4

About 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride

2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride (PubChem CID 3075560) has the molecular formula C17H24Cl2N2O4 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride
PubChem CID3075560
Molecular FormulaC17H24Cl2N2O4
Molecular Weight391.30 g/mol
Exact Mass390.11
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C17H23ClN2O4.ClH/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20;/h1-4,16H,5-13H2;1H
InChIKeyUILYOKMBTKKAFK-UHFFFAOYSA-N
XLogP2.60
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Morpholine, 4-(3-((p-chloro-alpha-phenylbenzyl)oxy)propyl)-, hydrochloride
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Phenethylamine, beta-acetoxy-p-chloro-N,N-dimethyl-
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride (CID 3075560) is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOC(c2ccc(Cl)cc2)C1)N1CCOCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
The InChIKey is UILYOKMBTKKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4.ClH/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20;/h1-4,16H,5-13H2;1H.
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride?
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate;hydrochloride is sourced from PubChem (CID 3075560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).