(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine

C18H21NO3 — CID 44569759

IUPAC(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine
SMILES[11CH3]Oc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1/i1-1
InChIKeyMZGJHBJKODTIQM-RIVWMEAKSA-N
MW298.37 g/mol
LogP2.80
Rot. Bonds5

About (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine

(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine (PubChem CID 44569759) has the molecular formula C18H21NO3 and a molecular weight of 298.37 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine
PubChem CID44569759
Molecular FormulaC18H21NO3
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine
SMILES[11CH3]Oc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1/i1-1
InChIKeyMZGJHBJKODTIQM-RIVWMEAKSA-N
XLogP2.80
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine (CID 44569759) is (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine is [11CH3]Oc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine?
The InChIKey is MZGJHBJKODTIQM-RIVWMEAKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1/i1-1.
What are the key properties of (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine has a molecular weight of 298.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 44569759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).