2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine

C23H27NO2 — CID 57125662

IUPAC2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(OC2C=Cc3ccccc32)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c1-17(2)24-14-15-25-22(16-24)23(19-9-4-3-5-10-19)26-21-13-12-18-8-6-7-11-20(18)21/h3-13,17,21-23H,14-16H2,1-2H3
InChIKeyZNJQOJRWQJNSOO-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.62
Rot. Bonds5

About 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine

2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine (PubChem CID 57125662) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine
PubChem CID57125662
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(OC2C=Cc3ccccc32)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c1-17(2)24-14-15-25-22(16-24)23(19-9-4-3-5-10-19)26-21-13-12-18-8-6-7-11-20(18)21/h3-13,17,21-23H,14-16H2,1-2H3
InChIKeyZNJQOJRWQJNSOO-UHFFFAOYSA-N
XLogP4.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine (CID 57125662) is 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(C(OC2C=Cc3ccccc32)c2ccccc2)C1.
What is the InChIKey of 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is ZNJQOJRWQJNSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17(2)24-14-15-25-22(16-24)23(19-9-4-3-5-10-19)26-21-13-12-18-8-6-7-11-20(18)21/h3-13,17,21-23H,14-16H2,1-2H3.
What are the key properties of 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine?
2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 349.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 57125662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).