3-(2-methoxy-5-propan-2-ylphenyl)azetidine

C13H19NO — CID 82283096

IUPAC3-(2-methoxy-5-propan-2-ylphenyl)azetidine
SMILESCOc1ccc(C(C)C)cc1C1CNC1
InChIInChI=1S/C13H19NO/c1-9(2)10-4-5-13(15-3)12(6-10)11-7-14-8-11/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyLCWDHXOGYBCIEI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-methoxy-5-propan-2-ylphenyl)azetidine

3-(2-methoxy-5-propan-2-ylphenyl)azetidine (PubChem CID 82283096) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-methoxy-5-propan-2-ylphenyl)azetidine.

Molecular Properties

Compound Name3-(2-methoxy-5-propan-2-ylphenyl)azetidine
PubChem CID82283096
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-methoxy-5-propan-2-ylphenyl)azetidine
SMILESCOc1ccc(C(C)C)cc1C1CNC1
InChIInChI=1S/C13H19NO/c1-9(2)10-4-5-13(15-3)12(6-10)11-7-14-8-11/h4-6,9,11,14H,7-8H2,1-3H3
InChIKeyLCWDHXOGYBCIEI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
CID 151172035
3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129058
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
3-(4-methoxy-2,3-dimethylphenyl)azetidine
CID 82281458
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(3S,6R)-3-(2-methoxy-5-propan-2-ylphenyl)-7-phenyl-1,8-diazaspiro[5.5]undecane
CID 57118606
1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 5108927
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)azetidine?
The IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)azetidine (CID 82283096) is 3-(2-methoxy-5-propan-2-ylphenyl)azetidine.
What is the SMILES notation for 3-(2-methoxy-5-propan-2-ylphenyl)azetidine?
The canonical SMILES for 3-(2-methoxy-5-propan-2-ylphenyl)azetidine is COc1ccc(C(C)C)cc1C1CNC1.
What is the InChIKey of 3-(2-methoxy-5-propan-2-ylphenyl)azetidine?
The InChIKey is LCWDHXOGYBCIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)10-4-5-13(15-3)12(6-10)11-7-14-8-11/h4-6,9,11,14H,7-8H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-propan-2-ylphenyl)azetidine?
3-(2-methoxy-5-propan-2-ylphenyl)azetidine has a molecular weight of 205.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propan-2-ylphenyl)azetidine is sourced from PubChem (CID 82283096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).