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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Related Compounds

1-[(4-methoxyphenyl)methyl]-4,6-dimethylspiro[2H-indole-3,1'-cyclohexane]
CID 102283703
(2'S,6'S)-1'-benzyl-1-[(4-methoxyphenyl)methyl]-2',8-dimethyl-6'-(1-methyltriazol-4-yl)spiro[2,4-dihydro-3,1-benzoxazepine-5,4'-piperidine]
CID 168912502
1',1'-difluoro-1-[(4-methoxyphenyl)methyl]-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-cyclobutane]
CID 172759632
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
2-chloro-7,7-difluoro-9-[(4-methoxyphenyl)methyl]-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 86637523
5-fluoro-6-(1-fluorocyclopropyl)-2-[(4-methoxyphenyl)methyl]spiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 163371498
3-(4-methoxyphenyl)-8-methyl-5-[(4-methylphenyl)methyl]-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178187032
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 131655489
1-[6-ethyl-1-[(4-methoxyphenyl)methyl]-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
CID 68797130
[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
CID 124521340
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93292204

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).