(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine

C21H27NO2 — CID 68538263

IUPAC(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine
SMILESCC(C)Cc1ccccc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C21H27NO2/c1-16(2)14-18-10-6-7-11-19(18)24-21(17-8-4-3-5-9-17)20-15-22-12-13-23-20/h3-11,16,20-22H,12-15H2,1-2H3/t20-,21?/m0/s1
InChIKeySTAHYNFVZCTALD-BGERDNNASA-N
MW325.45 g/mol
LogP3.99
Rot. Bonds6

About (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine

(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine (PubChem CID 68538263) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine
PubChem CID68538263
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine
SMILESCC(C)Cc1ccccc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C21H27NO2/c1-16(2)14-18-10-6-7-11-19(18)24-21(17-8-4-3-5-9-17)20-15-22-12-13-23-20/h3-11,16,20-22H,12-15H2,1-2H3/t20-,21?/m0/s1
InChIKeySTAHYNFVZCTALD-BGERDNNASA-N
XLogP3.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine (CID 68538263) is (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine is CC(C)Cc1ccccc1OC(c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine?
The InChIKey is STAHYNFVZCTALD-BGERDNNASA-N. The full InChI is InChI=1S/C21H27NO2/c1-16(2)14-18-10-6-7-11-19(18)24-21(17-8-4-3-5-9-17)20-15-22-12-13-23-20/h3-11,16,20-22H,12-15H2,1-2H3/t20-,21?/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine?
(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine has a molecular weight of 325.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine is sourced from PubChem (CID 68538263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).