2-(2-methoxy-5-methylphenyl)-3-methylazetidine

C12H17NO — CID 116822099

IUPAC2-(2-methoxy-5-methylphenyl)-3-methylazetidine
SMILESCOc1ccc(C)cc1C1NCC1C
InChIInChI=1S/C12H17NO/c1-8-4-5-11(14-3)10(6-8)12-9(2)7-13-12/h4-6,9,12-13H,7H2,1-3H3
InChIKeyCGBNNFPEDMLHQX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds2

About 2-(2-methoxy-5-methylphenyl)-3-methylazetidine

2-(2-methoxy-5-methylphenyl)-3-methylazetidine (PubChem CID 116822099) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-3-methylazetidine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-3-methylazetidine
PubChem CID116822099
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methoxy-5-methylphenyl)-3-methylazetidine
SMILESCOc1ccc(C)cc1C1NCC1C
InChIInChI=1S/C12H17NO/c1-8-4-5-11(14-3)10(6-8)12-9(2)7-13-12/h4-6,9,12-13H,7H2,1-3H3
InChIKeyCGBNNFPEDMLHQX-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
CID 116822126
3-(2-methoxy-5-methylphenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66226419
2-(2-methoxy-5-methylphenyl)-3-methylmorpholine
CID 82286583
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
CID 116822166
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide
CID 82477178
3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
CID 116864002
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
3-(2-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 64505766
CID 175002505
CID 175002505
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-3-methylazetidine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-3-methylazetidine (CID 116822099) is 2-(2-methoxy-5-methylphenyl)-3-methylazetidine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-3-methylazetidine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-3-methylazetidine is COc1ccc(C)cc1C1NCC1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-3-methylazetidine?
The InChIKey is CGBNNFPEDMLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-4-5-11(14-3)10(6-8)12-9(2)7-13-12/h4-6,9,12-13H,7H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-3-methylazetidine?
2-(2-methoxy-5-methylphenyl)-3-methylazetidine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-3-methylazetidine is sourced from PubChem (CID 116822099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).