2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine

C24H29NO2 — CID 57110577

IUPAC2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine
SMILESCc1cccc(C(OC2C=Cc3ccccc32)C2CN(C(C)C)CCO2)c1
InChIInChI=1S/C24H29NO2/c1-17(2)25-13-14-26-23(16-25)24(20-9-6-7-18(3)15-20)27-22-12-11-19-8-4-5-10-21(19)22/h4-12,15,17,22-24H,13-14,16H2,1-3H3
InChIKeyGDDTUEYAWMIIBB-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.93
Rot. Bonds5

About 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine

2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine (PubChem CID 57110577) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine
PubChem CID57110577
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine
SMILESCc1cccc(C(OC2C=Cc3ccccc32)C2CN(C(C)C)CCO2)c1
InChIInChI=1S/C24H29NO2/c1-17(2)25-13-14-26-23(16-25)24(20-9-6-7-18(3)15-20)27-22-12-11-19-8-4-5-10-21(19)22/h4-12,15,17,22-24H,13-14,16H2,1-3H3
InChIKeyGDDTUEYAWMIIBB-UHFFFAOYSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.93
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-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine (CID 57110577) is 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine is Cc1cccc(C(OC2C=Cc3ccccc32)C2CN(C(C)C)CCO2)c1.
What is the InChIKey of 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is GDDTUEYAWMIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-17(2)25-13-14-26-23(16-25)24(20-9-6-7-18(3)15-20)27-22-12-11-19-8-4-5-10-21(19)22/h4-12,15,17,22-24H,13-14,16H2,1-3H3.
What are the key properties of 2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine?
2-[1H-inden-1-yloxy-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 363.50 g/mol, XLogP of 4.93, 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-(3-methylphenyl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 57110577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).