3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine

C18H21NO — CID 79451365

IUPAC3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine
SMILESCOc1cccc(CC2(c3ccc(C)cc3)CNC2)c1
InChIInChI=1S/C18H21NO/c1-14-6-8-16(9-7-14)18(12-19-13-18)11-15-4-3-5-17(10-15)20-2/h3-10,19H,11-13H2,1-2H3
InChIKeyKSUHSYFUUOQFFY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.09
Rot. Bonds4

About 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine

3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine (PubChem CID 79451365) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine
PubChem CID79451365
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine
SMILESCOc1cccc(CC2(c3ccc(C)cc3)CNC2)c1
InChIInChI=1S/C18H21NO/c1-14-6-8-16(9-7-14)18(12-19-13-18)11-15-4-3-5-17(10-15)20-2/h3-10,19H,11-13H2,1-2H3
InChIKeyKSUHSYFUUOQFFY-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine
CID 79459633
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
CID 104568851

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine (CID 79451365) is 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine is COc1cccc(CC2(c3ccc(C)cc3)CNC2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine?
The InChIKey is KSUHSYFUUOQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-6-8-16(9-7-14)18(12-19-13-18)11-15-4-3-5-17(10-15)20-2/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine?
3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine has a molecular weight of 267.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine is sourced from PubChem (CID 79451365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).