2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine

C13H19NO — CID 116822126

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
SMILESCOc1cc(C)c(C)cc1C1NCC1C
InChIInChI=1S/C13H19NO/c1-8-5-11(13-10(3)7-14-13)12(15-4)6-9(8)2/h5-6,10,13-14H,7H2,1-4H3
InChIKeySGPYCXWYSHRJTB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds2

About 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine

2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine (PubChem CID 116822126) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
PubChem CID116822126
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
SMILESCOc1cc(C)c(C)cc1C1NCC1C
InChIInChI=1S/C13H19NO/c1-8-5-11(13-10(3)7-14-13)12(15-4)6-9(8)2/h5-6,10,13-14H,7H2,1-4H3
InChIKeySGPYCXWYSHRJTB-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-3-methylazetidine
CID 116822099
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
CID 116822166
2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
CID 83837131
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
(2S,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;(2R,5S)-5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;5-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine;dihydrochloride
CID 161209147
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(2,5-dimethoxy-4-methylphenyl)-2-methylpiperidine
CID 159964703
1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688200
4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
CID 116962660
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine (CID 116822126) is 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine is COc1cc(C)c(C)cc1C1NCC1C.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine?
The InChIKey is SGPYCXWYSHRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-5-11(13-10(3)7-14-13)12(15-4)6-9(8)2/h5-6,10,13-14H,7H2,1-4H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine?
2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine has a molecular weight of 205.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine is sourced from PubChem (CID 116822126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).