3-[(2,3,6-trimethylphenoxy)methyl]azetidine

C13H19NO — CID 116820174

IUPAC3-[(2,3,6-trimethylphenoxy)methyl]azetidine
SMILESCc1ccc(C)c(OCC2CNC2)c1C
InChIInChI=1S/C13H19NO/c1-9-4-5-10(2)13(11(9)3)15-8-12-6-14-7-12/h4-5,12,14H,6-8H2,1-3H3
InChIKeyDZRJCSNBLWSRGJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds3

About 3-[(2,3,6-trimethylphenoxy)methyl]azetidine

3-[(2,3,6-trimethylphenoxy)methyl]azetidine (PubChem CID 116820174) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2,3,6-trimethylphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(2,3,6-trimethylphenoxy)methyl]azetidine
PubChem CID116820174
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2,3,6-trimethylphenoxy)methyl]azetidine
SMILESCc1ccc(C)c(OCC2CNC2)c1C
InChIInChI=1S/C13H19NO/c1-9-4-5-10(2)13(11(9)3)15-8-12-6-14-7-12/h4-5,12,14H,6-8H2,1-3H3
InChIKeyDZRJCSNBLWSRGJ-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methylphenoxy)methyl]azetidine
CID 126979014
2-(fluoromethoxy)-1,3,4-trimethylbenzene
CID 89340105
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethanol
CID 117314647
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-ol
CID 117336720
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
CID 84794783
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
O-[2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethyl]hydroxylamine
CID 117343414
1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974243
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine
CID 117402832
3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
CID 154815250
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,6-trimethylphenoxy)methyl]azetidine?
The IUPAC name of 3-[(2,3,6-trimethylphenoxy)methyl]azetidine (CID 116820174) is 3-[(2,3,6-trimethylphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(2,3,6-trimethylphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(2,3,6-trimethylphenoxy)methyl]azetidine is Cc1ccc(C)c(OCC2CNC2)c1C.
What is the InChIKey of 3-[(2,3,6-trimethylphenoxy)methyl]azetidine?
The InChIKey is DZRJCSNBLWSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-4-5-10(2)13(11(9)3)15-8-12-6-14-7-12/h4-5,12,14H,6-8H2,1-3H3.
What are the key properties of 3-[(2,3,6-trimethylphenoxy)methyl]azetidine?
3-[(2,3,6-trimethylphenoxy)methyl]azetidine has a molecular weight of 205.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,6-trimethylphenoxy)methyl]azetidine is sourced from PubChem (CID 116820174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).