2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid

C20H27NO6S — CID 6917839

IUPAC2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
SMILESCCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O
InChIInChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)
InChIKeyCGTZMJIMMUNLQD-UHFFFAOYSA-N
MW409.50 g/mol
LogP2.70
Rot. Bonds6

About 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid

2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid (PubChem CID 6917839) has the molecular formula C20H27NO6S and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
PubChem CID6917839
Molecular FormulaC20H27NO6S
Molecular Weight409.50 g/mol
Exact Mass409.16
IUPAC Name2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
SMILESCCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O
InChIInChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)
InChIKeyCGTZMJIMMUNLQD-UHFFFAOYSA-N
XLogP2.70
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid?
The IUPAC name of 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid (CID 6917839) is 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid?
The canonical SMILES for 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid is CCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid?
The InChIKey is CGTZMJIMMUNLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4).
What are the key properties of 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid?
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid has a molecular weight of 409.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid is sourced from PubChem (CID 6917839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).