1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]

C20H24N2O — CID 58221657

IUPAC1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]
SMILESCOc1ccc(CN2CC3(CN(C)C3)c3ccc(C)cc32)cc1
InChIInChI=1S/C20H24N2O/c1-15-4-9-18-19(10-15)22(14-20(18)12-21(2)13-20)11-16-5-7-17(23-3)8-6-16/h4-10H,11-14H2,1-3H3
InChIKeyODHRZVLKINPQNY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.21
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]

1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine] (PubChem CID 58221657) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine].

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]
PubChem CID58221657
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]
SMILESCOc1ccc(CN2CC3(CN(C)C3)c3ccc(C)cc32)cc1
InChIInChI=1S/C20H24N2O/c1-15-4-9-18-19(10-15)22(14-20(18)12-21(2)13-20)11-16-5-7-17(23-3)8-6-16/h4-10H,11-14H2,1-3H3
InChIKeyODHRZVLKINPQNY-UHFFFAOYSA-N
XLogP3.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine] (CID 58221657) is 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine].
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine] is COc1ccc(CN2CC3(CN(C)C3)c3ccc(C)cc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]?
The InChIKey is ODHRZVLKINPQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-4-9-18-19(10-15)22(14-20(18)12-21(2)13-20)11-16-5-7-17(23-3)8-6-16/h4-10H,11-14H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine]?
1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine] has a molecular weight of 308.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1',6-dimethylspiro[2H-indole-3,3'-azetidine] is sourced from PubChem (CID 58221657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).