4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid

C16H22ClNO6 — CID 2853099

IUPAC4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid
SMILESCc1cccc(Cl)c1OCCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20ClNO2.C2H2O4/c1-12-4-2-5-13(15)14(12)18-9-3-6-16-7-10-17-11-8-16;3-1(4)2(5)6/h2,4-5H,3,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyMAJKRHTXMLHNAF-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.91
Rot. Bonds5

About 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid

4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid (PubChem CID 2853099) has the molecular formula C16H22ClNO6 and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid
PubChem CID2853099
Molecular FormulaC16H22ClNO6
Molecular Weight359.81 g/mol
Exact Mass359.11
IUPAC Name4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid
SMILESCc1cccc(Cl)c1OCCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20ClNO2.C2H2O4/c1-12-4-2-5-13(15)14(12)18-9-3-6-16-7-10-17-11-8-16;3-1(4)2(5)6/h2,4-5H,3,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyMAJKRHTXMLHNAF-UHFFFAOYSA-N
XLogP1.91
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-Chloro-6-methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847238
[2-(2-Chloro-4,6-dimethylphenoxy)ethyl]dimethylamine oxalate
CID 2934973
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986840
4-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
CID 18986847
N-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986854
N-[2-[3,5-dichloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986855
N-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986865
N,N-di-n-propyl-4-[5-chloro-2-(2-phenylethoxy)phenyl]butylamine oxalate
CID 18986873
1-{2-[2-(2-Chloro-4,6-dimethylphenoxy)ethoxy]ethyl}-4-methylpiperazine oxalate
CID 2888760
[2-(2-Allyl-4-chlorophenoxy)ethyl](2-methoxyethyl)amine oxalate
CID 2922228
1-{2-[2-(2-Tert-butyl-4-chlorophenoxy)ethoxy]ethyl}pyrrolidine oxalate
CID 2922650
[4-(2,4-Dichloro-6-methylphenoxy)butyl]dimethylamine oxalate
CID 2934086

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid?
The IUPAC name of 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid (CID 2853099) is 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid?
The canonical SMILES for 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid is Cc1cccc(Cl)c1OCCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid?
The InChIKey is MAJKRHTXMLHNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.C2H2O4/c1-12-4-2-5-13(15)14(12)18-9-3-6-16-7-10-17-11-8-16;3-1(4)2(5)6/h2,4-5H,3,6-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid?
4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid has a molecular weight of 359.81 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-6-methylphenoxy)propyl]morpholine;oxalic acid is sourced from PubChem (CID 2853099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).